AG003IRV

1028307-48-3 | 3-[2-[[(2-Methoxyphenyl)methyl]amino]ethyl]-2,4(1H,3H)-quinazolinedione

AG003IRV

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CAS Number	1028307-48-3
Catalog Number	AG003IRV(AGN-PC-0MXRR0)
Chemical Name	3-[2-[[(2-Methoxyphenyl)methyl]amino]ethyl]-2,4(1H,3H)-quinazolinedione
IUPAC Name	3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1H-quinazoline-2,4-dione
InChI	InChI=1S/C18H19N3O3/c1-24-16-9-5-2-6-13(16)12-19-10-11-21-17(22)14-7-3-4-8-15(14)20-18(21)23/h2-9,19H,10-12H2,1H3,(H,20,23)
InChI Key	NUAJBITWGGTZCM-UHFFFAOYSA-N
MDL Number	MFCD22573566
Molecular Formula	C18H19N3O3
Molecular Weight	325.3618
SMILES	O=c1c2c([nH]c(=O)n1CCNCc1c(OC)cccc1)cccc2
UNII	A31AED225O
Synonyms	1028307-48-3, 3-(2-((2-Methoxybenzyl)amino)ethyl)quinazoline-2,4(1H,3H)-dione, UNII-A31AED225O, A31AED225O, RH-34, 3-[2-[[(2-Methoxyphenyl)Methyl]aMino]ethyl]-2,4(1H,3 H)-quinazolinedione, 3-[2-[[(2-Methoxyphenyl)methyl]amino]ethyl]-2,4(1H,3H)quinazolinedione, SCHEMBL10321390, DTXSID80434687, QCR-286, 3-(2-(2-Methoxybenzylamino)ethyl)-1H-quinazoline-2,4-dione, BCP06819, 0679AA, MFCD22573566, ZINC91296966, AKOS016010681, DS-5691, AK119634, AJ-129249, AX8245050, ST24041381, J3.586.067C, KS-00000108, Methoxyphenyl)Methyl]aMino]ethyl]-2,4(1H,3H)quinazolinedione, 3-(2-(2-Methoxybenzylamino)ethyl)quinazoline-2(1H),4(3H)-dione, 3-(2-(2-methoxybenzylamino)ethyl)quinazoline-2,4(1H,3H)-dione, 3-{2-[(2-Methoxybenzyl)amino]ethyl}-2,4(1H,3H)-quinazolinedione, 3-(2-{[(2-Methoxyphenyl)methyl]amino}ethyl)quinazoline-2,4(1H,3H)-dione, 2,4(1H,3H)-Quinazolinedione, 3-(2-(((2-methoxyphenyl)methyl)amino)ethyl)-, C18H19N3O3, ACN-025718, CID10041987, 3-[2-[[(2-Methoxyphenyl)methyl]amino]ethyl]-2,4(1H,3H)-quinazolinedione, 3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1H-quinazoline-2,4-dione,

Complexity	457
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	325.143g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	325.368g/mol
Monoisotopic Mass	325.143g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	70.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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