1-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide

C23H19Cl2N3O3 — CID 5202932

IUPAC1-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)Nc3ccc(Cl)cn3)c(=O)n(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C23H19Cl2N3O3/c1-23(2)10-18-16(19(29)11-23)9-17(21(30)27-20-8-5-14(25)12-26-20)22(31)28(18)15-6-3-13(24)4-7-15/h3-9,12H,10-11H2,1-2H3,(H,26,27,30)
InChIKeyFLCMFFJGBUMBBK-UHFFFAOYSA-N
MW456.33 g/mol
LogP4.95
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide

1-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide (PubChem CID 5202932) has the molecular formula C23H19Cl2N3O3 and a molecular weight of 456.33 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide
PubChem CID5202932
Molecular FormulaC23H19Cl2N3O3
Molecular Weight456.33 g/mol
Exact Mass455.08
IUPAC Name1-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)Nc3ccc(Cl)cn3)c(=O)n(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C23H19Cl2N3O3/c1-23(2)10-18-16(19(29)11-23)9-17(21(30)27-20-8-5-14(25)12-26-20)22(31)28(18)15-6-3-13(24)4-7-15/h3-9,12H,10-11H2,1-2H3,(H,26,27,30)
InChIKeyFLCMFFJGBUMBBK-UHFFFAOYSA-N
XLogP4.95
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.33
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide with MolForge

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Related Compounds

N-(4-butoxyphenyl)-1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide
CID 2200272
7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-6,8-dihydroquinoline-3-carboxamide
CID 2945255
1-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylic acid
CID 71668941
N-(2-methoxyethyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide
CID 3152511
N-(2,5-dimethoxyphenyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide
CID 1090171
1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylate
CID 5085685
acetic acid;1-(4-chlorophenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one
CID 163342661
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide
CID 4873639
7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(oxolan-2-ylmethyl)-6,8-dihydroquinoline-3-carboxamide
CID 2951423
7,7-dimethyl-2,5-dioxo-1-phenyl-N,N-di(propan-2-yl)-6,8-dihydroquinoline-3-carboxamide
CID 23884754
N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-pyridinyl]-2,5-dioxo-1-phenylspiro[6,8-dihydroquinoline-7,1'-cyclobutane]-3-carboxamide
CID 122512848
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide (CID 5202932) is 1-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide is CC1(C)CC(=O)c2cc(C(=O)Nc3ccc(Cl)cn3)c(=O)n(-c3ccc(Cl)cc3)c2C1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide?
The InChIKey is FLCMFFJGBUMBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O3/c1-23(2)10-18-16(19(29)11-23)9-17(21(30)27-20-8-5-14(25)12-26-20)22(31)28(18)15-6-3-13(24)4-7-15/h3-9,12H,10-11H2,1-2H3,(H,26,27,30).
What are the key properties of 1-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide?
1-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide has a molecular weight of 456.33 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide is sourced from PubChem (CID 5202932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).