AG001GSY

1416440-75-9 | 3-Quinolinecarboxylic acid, 7-[[(1,1-dimethylethoxy)carbonyl]amino]-

AG001GSY

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CAS Number	1416440-75-9
Catalog Number	AG001GSY(AGN-PC-0JK1IZ)
Chemical Name	3-Quinolinecarboxylic acid, 7-[[(1,1-dimethylethoxy)carbonyl]amino]-
IUPAC Name	7-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-3-carboxylic acid
InChI	InChI=1S/C15H16N2O4/c1-15(2,3)21-14(20)17-11-5-4-9-6-10(13(18)19)8-16-12(9)7-11/h4-8H,1-3H3,(H,17,20)(H,18,19)
InChI Key	INTZBPPTMKHWHS-UHFFFAOYSA-N
MDL Number	MFCD22690563
Molecular Formula	C15H16N2O4
Molecular Weight	288.2985
SMILES	O=C(C1=CC2=CC=C(NC(OC(C)(C)C)=O)C=C2N=C1)O
Synonyms	1416440-75-9, 7-((tert-Butoxycarbonyl)amino)quinoline-3-carboxylic acid, 7-(TERT-BUTOXYCARBONYLAMINO)QUINOLINE-3-CARBOXYLIC ACID, AK164625, MFCD22690563, ZINC91692893, AKOS025146667, FCH2895349, AS-41410, SC-68186, AB0050293, 7-(tert-butoxycarbonylamino)quinoline-3-carboxylic, 7-(tert-butoxycarbonylamino)quinoline-3-carboxylicacid, 3-Quinolinecarboxylic acid, 7-[[(1,1-dimethylethoxy)carbonyl]amino]-, 7-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-3-carboxylic acid,

Complexity	405
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	288.111g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	288.303g/mol
Monoisotopic Mass	288.111g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	88.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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