3-[(4-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide

C24H20ClN3O3 — CID 91533882

IUPAC3-[(4-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide
SMILESCn1c(=O)c(Cc2ccc(Cl)cc2)c(O)c2cc(C(=O)NCc3cccnc3)ccc21
InChIInChI=1S/C24H20ClN3O3/c1-28-21-9-6-17(23(30)27-14-16-3-2-10-26-13-16)12-19(21)22(29)20(24(28)31)11-15-4-7-18(25)8-5-15/h2-10,12-13,29H,11,14H2,1H3,(H,27,30)
InChIKeyWGPNDDRSQLHPDE-UHFFFAOYSA-N
MW433.90 g/mol
LogP3.81
Rot. Bonds5

About 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide

3-[(4-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide (PubChem CID 91533882) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide
PubChem CID91533882
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name3-[(4-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide
SMILESCn1c(=O)c(Cc2ccc(Cl)cc2)c(O)c2cc(C(=O)NCc3cccnc3)ccc21
InChIInChI=1S/C24H20ClN3O3/c1-28-21-9-6-17(23(30)27-14-16-3-2-10-26-13-16)12-19(21)22(29)20(24(28)31)11-15-4-7-18(25)8-5-15/h2-10,12-13,29H,11,14H2,1H3,(H,27,30)
InChIKeyWGPNDDRSQLHPDE-UHFFFAOYSA-N
XLogP3.81
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N-[(6-methoxy-3-pyridinyl)methyl]-1-methyl-2-oxoquinoline-6-carboxamide
CID 90720869
3-[(3,4-difluorophenyl)methyl]-4-hydroxy-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2-oxoquinoline-6-carboxamide
CID 91228004
1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106001
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(pyridin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15999038
2-[(4-methylsulfanylphenyl)methyl]-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-7-carboxamide
CID 142859654
5-[(4-methylsulfonylphenyl)methyl]-4-oxo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 171352839
5-[(4-chlorophenyl)methyl]-6,11-dioxo-N-(pyridin-3-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide
CID 20860871
1,3,3-trimethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-carboxamide
CID 110764380
2-N-[2-(4-chlorophenyl)ethyl]-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087317
1,4-dimethyl-N-[(4-methylphenyl)methyl]-2,3-dioxoquinoxaline-6-carboxamide
CID 6625310

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide (CID 91533882) is 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide is Cn1c(=O)c(Cc2ccc(Cl)cc2)c(O)c2cc(C(=O)NCc3cccnc3)ccc21.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide?
The InChIKey is WGPNDDRSQLHPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-28-21-9-6-17(23(30)27-14-16-3-2-10-26-13-16)12-19(21)22(29)20(24(28)31)11-15-4-7-18(25)8-5-15/h2-10,12-13,29H,11,14H2,1H3,(H,27,30).
What are the key properties of 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide?
3-[(4-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide is sourced from PubChem (CID 91533882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).