3-[[(1-benzyl-2-oxopyridine-4-carbonyl)amino]methyl]-7-chloro-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide

C32H27ClN4O4 — CID 71208711

IUPAC3-[[(1-benzyl-2-oxopyridine-4-carbonyl)amino]methyl]-7-chloro-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide
SMILESCN(C)C(=O)c1c(CNC(=O)c2ccn(Cc3ccccc3)c(=O)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C32H27ClN4O4/c1-35(2)32(41)29-26(30(39)25-14-13-23(33)18-27(25)37(29)24-11-7-4-8-12-24)19-34-31(40)22-15-16-36(28(38)17-22)20-21-9-5-3-6-10-21/h3-18H,19-20H2,1-2H3,(H,34,40)
InChIKeyNWMWAQZCJPXOKU-UHFFFAOYSA-N
MW567.05 g/mol
LogP4.49
Rot. Bonds7

About 3-[[(1-benzyl-2-oxopyridine-4-carbonyl)amino]methyl]-7-chloro-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide

3-[[(1-benzyl-2-oxopyridine-4-carbonyl)amino]methyl]-7-chloro-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide (PubChem CID 71208711) has the molecular formula C32H27ClN4O4 and a molecular weight of 567.05 g/mol. Its IUPAC name is 3-[[(1-benzyl-2-oxopyridine-4-carbonyl)amino]methyl]-7-chloro-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide.

Molecular Properties

Compound Name3-[[(1-benzyl-2-oxopyridine-4-carbonyl)amino]methyl]-7-chloro-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide
PubChem CID71208711
Molecular FormulaC32H27ClN4O4
Molecular Weight567.05 g/mol
Exact Mass566.17
IUPAC Name3-[[(1-benzyl-2-oxopyridine-4-carbonyl)amino]methyl]-7-chloro-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide
SMILESCN(C)C(=O)c1c(CNC(=O)c2ccn(Cc3ccccc3)c(=O)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C32H27ClN4O4/c1-35(2)32(41)29-26(30(39)25-14-13-23(33)18-27(25)37(29)24-11-7-4-8-12-24)19-34-31(40)22-15-16-36(28(38)17-22)20-21-9-5-3-6-10-21/h3-18H,19-20H2,1-2H3,(H,34,40)
InChIKeyNWMWAQZCJPXOKU-UHFFFAOYSA-N
XLogP4.49
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.05
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1-benzyl-2-oxopyridine-4-carbonyl)amino]methyl]-7-chloro-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide?
The IUPAC name of 3-[[(1-benzyl-2-oxopyridine-4-carbonyl)amino]methyl]-7-chloro-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide (CID 71208711) is 3-[[(1-benzyl-2-oxopyridine-4-carbonyl)amino]methyl]-7-chloro-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide.
What is the SMILES notation for 3-[[(1-benzyl-2-oxopyridine-4-carbonyl)amino]methyl]-7-chloro-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide?
The canonical SMILES for 3-[[(1-benzyl-2-oxopyridine-4-carbonyl)amino]methyl]-7-chloro-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide is CN(C)C(=O)c1c(CNC(=O)c2ccn(Cc3ccccc3)c(=O)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1.
What is the InChIKey of 3-[[(1-benzyl-2-oxopyridine-4-carbonyl)amino]methyl]-7-chloro-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide?
The InChIKey is NWMWAQZCJPXOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27ClN4O4/c1-35(2)32(41)29-26(30(39)25-14-13-23(33)18-27(25)37(29)24-11-7-4-8-12-24)19-34-31(40)22-15-16-36(28(38)17-22)20-21-9-5-3-6-10-21/h3-18H,19-20H2,1-2H3,(H,34,40).
What are the key properties of 3-[[(1-benzyl-2-oxopyridine-4-carbonyl)amino]methyl]-7-chloro-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide?
3-[[(1-benzyl-2-oxopyridine-4-carbonyl)amino]methyl]-7-chloro-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide has a molecular weight of 567.05 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-benzyl-2-oxopyridine-4-carbonyl)amino]methyl]-7-chloro-N,N-dimethyl-4-oxo-1-phenylquinoline-2-carboxamide is sourced from PubChem (CID 71208711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).