4-(2,3-dichlorophenyl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide

C29H25Cl2N3O2 — CID 4749035

IUPAC4-(2,3-dichlorophenyl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ncccc2C)C(c2cccc(Cl)c2Cl)C2C(=O)CC(c3ccccc3)C=C2N1
InChIInChI=1S/C29H25Cl2N3O2/c1-16-8-7-13-32-28(16)34-29(36)24-17(2)33-22-14-19(18-9-4-3-5-10-18)15-23(35)26(22)25(24)20-11-6-12-21(30)27(20)31/h3-14,19,25-26,33H,15H2,1-2H3,(H,32,34,36)
InChIKeyHHCMNFFUJAZAJN-UHFFFAOYSA-N
MW518.44 g/mol
LogP6.55
Rot. Bonds4

About 4-(2,3-dichlorophenyl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide

4-(2,3-dichlorophenyl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 4749035) has the molecular formula C29H25Cl2N3O2 and a molecular weight of 518.44 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID4749035
Molecular FormulaC29H25Cl2N3O2
Molecular Weight518.44 g/mol
Exact Mass517.13
IUPAC Name4-(2,3-dichlorophenyl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ncccc2C)C(c2cccc(Cl)c2Cl)C2C(=O)CC(c3ccccc3)C=C2N1
InChIInChI=1S/C29H25Cl2N3O2/c1-16-8-7-13-32-28(16)34-29(36)24-17(2)33-22-14-19(18-9-4-3-5-10-18)15-23(35)26(22)25(24)20-11-6-12-21(30)27(20)31/h3-14,19,25-26,33H,15H2,1-2H3,(H,32,34,36)
InChIKeyHHCMNFFUJAZAJN-UHFFFAOYSA-N
XLogP6.55
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.44
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2,3-dichlorophenyl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

methyl 4-(2-chlorophenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate
CID 3294477
N-(5-bromo-2-pyridinyl)-2-methyl-5-oxo-7-phenyl-4-pyridin-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide
CID 4748751
4-(1,5-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide
CID 4749531
2-methyl-N-(4-methylpyridin-1-ium-2-yl)-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide
CID 4749789
4-(4-fluorophenyl)-2,7,7-trimethyl-N-(3-methyl-2-pyridinyl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxamide
CID 4749018
methyl 7-(2-chlorophenyl)-4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate
CID 3652177
2-phenylethyl 2-methyl-5-oxo-7-phenyl-4-pyridin-3-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate
CID 4083485
propan-2-yl 4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate
CID 4998847
2-phenylethyl 7-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate
CID 4572831
2-methoxyethyl 7-(2-chlorophenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate
CID 3566577
7-chloro-N-(3-methyl-2-pyridinyl)-1H-indole-2-carboxamide
CID 108804025
(4R)-4-(4-fluorophenyl)-2,7,7-trimethyl-N-(3-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 1012044

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-(2,3-dichlorophenyl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide (CID 4749035) is 4-(2,3-dichlorophenyl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-(2,3-dichlorophenyl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ncccc2C)C(c2cccc(Cl)c2Cl)C2C(=O)CC(c3ccccc3)C=C2N1.
What is the InChIKey of 4-(2,3-dichlorophenyl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is HHCMNFFUJAZAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25Cl2N3O2/c1-16-8-7-13-32-28(16)34-29(36)24-17(2)33-22-14-19(18-9-4-3-5-10-18)15-23(35)26(22)25(24)20-11-6-12-21(30)27(20)31/h3-14,19,25-26,33H,15H2,1-2H3,(H,32,34,36).
What are the key properties of 4-(2,3-dichlorophenyl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide?
4-(2,3-dichlorophenyl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 518.44 g/mol, XLogP of 6.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 4749035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).