4-(3-chlorophenyl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide

C25H26ClN3O2 — CID 2893639

IUPAC4-(3-chlorophenyl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cc(C)ccn2)C(c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1
InChIInChI=1S/C25H26ClN3O2/c1-14-8-9-27-20(10-14)29-24(31)21-15(2)28-18-12-25(3,4)13-19(30)23(18)22(21)16-6-5-7-17(26)11-16/h5-11,22,28H,12-13H2,1-4H3,(H,27,29,31)
InChIKeyIEPDSHZEDUXBDJ-UHFFFAOYSA-N
MW435.96 g/mol
LogP5.29
Rot. Bonds3

About 4-(3-chlorophenyl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide

4-(3-chlorophenyl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide (PubChem CID 2893639) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
PubChem CID2893639
Molecular FormulaC25H26ClN3O2
Molecular Weight435.96 g/mol
Exact Mass435.17
IUPAC Name4-(3-chlorophenyl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cc(C)ccn2)C(c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1
InChIInChI=1S/C25H26ClN3O2/c1-14-8-9-27-20(10-14)29-24(31)21-15(2)28-18-12-25(3,4)13-19(30)23(18)22(21)16-6-5-7-17(26)11-16/h5-11,22,28H,12-13H2,1-4H3,(H,27,29,31)
InChIKeyIEPDSHZEDUXBDJ-UHFFFAOYSA-N
XLogP5.29
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.96
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-chlorophenyl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

3-chloro-N-[5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2-pyridinyl]benzamide
CID 138544107
2,2-dichloro-N-(4-chloropyridin-2-yl)-1-phenylcyclopropanecarboxamide
CID 4587396
N-(5-chloropyridin-2-yl)-3-phenylpropanamide
CID 581852
1, 2-(3-Chlorophenyl)-5-methyl-
CID 386587
N-(4-tert-Butylphenyl)-1-(3-chloropyridin-2-yl)-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 11474160
2-(pyridin-3-yl)-4-(2-chloro-4-fluorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinazolin-5(1H)-one
CID 25030295
4-(4-Chlorophenyl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CID 2894009
2-Methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CID 2894080
4-(2,3-Dichlorophenyl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CID 4649580
N-(5-chloropyridin-2-yl)-3,3-diphenylpropanamide
CID 878314
4-chloro-N-(4-methyl-2-pyridinyl)-3-[(2-phenylbutanoyl)amino]benzamide
CID 11839626
N-[5-(4-Chlorophenyl)-2-pyridinyl]benzamide
CID 24949255

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide (CID 2893639) is 4-(3-chlorophenyl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide is CC1=C(C(=O)Nc2cc(C)ccn2)C(c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1.
What is the InChIKey of 4-(3-chlorophenyl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is IEPDSHZEDUXBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2/c1-14-8-9-27-20(10-14)29-24(31)21-15(2)28-18-12-25(3,4)13-19(30)23(18)22(21)16-6-5-7-17(26)11-16/h5-11,22,28H,12-13H2,1-4H3,(H,27,29,31).
What are the key properties of 4-(3-chlorophenyl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide?
4-(3-chlorophenyl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 435.96 g/mol, XLogP of 5.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 2893639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).