4-chloro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C25H21ClN2O3 — CID 1384915

IUPAC4-chloro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H21ClN2O3/c1-16-3-12-23-18(13-16)14-19(24(29)27-23)15-28(21-8-10-22(31-2)11-9-21)25(30)17-4-6-20(26)7-5-17/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyAGBTUJNDGIXAFI-UHFFFAOYSA-N
MW432.91 g/mol
LogP5.35
Rot. Bonds5

About 4-chloro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

4-chloro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 1384915) has the molecular formula C25H21ClN2O3 and a molecular weight of 432.91 g/mol. Its IUPAC name is 4-chloro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID1384915
Molecular FormulaC25H21ClN2O3
Molecular Weight432.91 g/mol
Exact Mass432.12
IUPAC Name4-chloro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H21ClN2O3/c1-16-3-12-23-18(13-16)14-19(24(29)27-23)15-28(21-8-10-22(31-2)11-9-21)25(30)17-4-6-20(26)7-5-17/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyAGBTUJNDGIXAFI-UHFFFAOYSA-N
XLogP5.35
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1397221
N-(4-methoxyphenyl)-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1415542
N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]butanamide
CID 1312211
N-(4-ethoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide
CID 1417965
4-chloro-N-(4-ethoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1388201
3,4,5-triethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)benzamide
CID 1391983
N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1453430
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 1391706
3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1426956
4-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1417676
3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1449539
N-(3-hydroxypropyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3193899

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of 4-chloro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 1384915) is 4-chloro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is COc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is AGBTUJNDGIXAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O3/c1-16-3-12-23-18(13-16)14-19(24(29)27-23)15-28(21-8-10-22(31-2)11-9-21)25(30)17-4-6-20(26)7-5-17/h3-14H,15H2,1-2H3,(H,27,29).
What are the key properties of 4-chloro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
4-chloro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 432.91 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 1384915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).