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136603-29-7 | Acetamide, N-[2-[3-nitro-4-(1-pyrrolidinyl)phenyl]-4-oxo-3(4H)-quinazolinyl]-2-[4-[(2-phenyl-1,8-naphthyridin-3-yl)carbonyl]phenoxy]-
CAS No: 136603-29-7 Catalog No: AG00125E MDL No:
Product Description
Catalog Number:
AG00125E
Chemical Name:
Acetamide, N-[2-[3-nitro-4-(1-pyrrolidinyl)phenyl]-4-oxo-3(4H)-quinazolinyl]-2-[4-[(2-phenyl-1,8-naphthyridin-3-yl)carbonyl]phenoxy]-
CAS Number:
136603-29-7
Molecular Formula:
C41H31N7O6
Molecular Weight:
717.7281
IUPAC Name:
N-[2-(3-nitro-4-pyrrolidin-1-ylphenyl)-4-oxoquinazolin-3-yl]-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetamide
InChI:
InChI=1S/C41H31N7O6/c49-36(25-54-30-17-14-27(15-18-30)38(50)32-23-28-11-8-20-42-39(28)44-37(32)26-9-2-1-3-10-26)45-47-40(43-33-13-5-4-12-31(33)41(47)51)29-16-19-34(35(24-29)48(52)53)46-21-6-7-22-46/h1-5,8-20,23-24H,6-7,21-22,25H2,(H,45,49)
InChI Key:
KVRXKVPDKKZRFO-UHFFFAOYSA-N
SMILES:
O=C(Nn1c(nc2c(c1=O)cccc2)c1ccc(c(c1)[N+](=O)[O-])N1CCCC1)COc1ccc(cc1)C(=O)c1cc2cccnc2nc1c1ccccc1
Properties
Complexity:
1390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
717.234g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
717.742g/mol
Monoisotopic Mass:
717.234g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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