AG01ELR0

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CAS Number	1693731-40-6
Catalog Number	AG01ELR0
Chemical Name	N-[5-(2,3-dihydro-1,4-benzodioxine-6-amido)-2-methylphenyl]-2-[2-(pyrrolidin-1-yl)ethoxy]quinoline-6-carboxamide
IUPAC Name	N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methylphenyl]-2-(2-pyrrolidin-1-ylethoxy)quinoline-6-carboxamide
InChI	InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38)
InChI Key	KLHOCHQJHXNKAS-UHFFFAOYSA-N
MDL Number	MFCD30738050
Molecular Formula	C32H32N4O5
Molecular Weight	552.6203
SMILES	O1C2=C(OCC1)C=C(C=C2)C(=O)NC=2C=CC(=C(C2)NC(=O)C=2C=C1C=CC(=NC1=CC2)OCCN2CCCC2)C
Synonyms	CCT251236, CCT251236, 1693731-40-6, N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)-2-(2-(pyrrolidin-1-yl)ethoxy)quinoline-6-carboxamide, CHEMBL4087666, SCHEMBL16621340, BCP20805, EX-A1634, AKOS032960464, CCT 251236, CCT-251236, CS-6956, HY-101026, N-[5-(2,3-dihydro-1,4-benzodioxine-6-amido)-2-methylphenyl]-2-[2-(pyrrolidin-1-yl)ethoxy]quinoline-6-carboxamide,

Complexity	884
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	552.237g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	552.631g/mol
Monoisotopic Mass	552.237g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

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CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited