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

C25H25ClN2O2 — CID 52949216

IUPACN-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2ccccc2)C2=C(CC(C)(C)CC2=O)N1
InChIInChI=1S/C25H25ClN2O2/c1-15-21(24(30)28-18-11-9-17(26)10-12-18)22(16-7-5-4-6-8-16)23-19(27-15)13-25(2,3)14-20(23)29/h4-12,22,27H,13-14H2,1-3H3,(H,28,30)
InChIKeyLVRPKKFTBNASSR-UHFFFAOYSA-N
MW420.94 g/mol
LogP5.58
Rot. Bonds3

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

N-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide (PubChem CID 52949216) has the molecular formula C25H25ClN2O2 and a molecular weight of 420.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide
PubChem CID52949216
Molecular FormulaC25H25ClN2O2
Molecular Weight420.94 g/mol
Exact Mass420.16
IUPAC NameN-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2ccccc2)C2=C(CC(C)(C)CC2=O)N1
InChIInChI=1S/C25H25ClN2O2/c1-15-21(24(30)28-18-11-9-17(26)10-12-18)22(16-7-5-4-6-8-16)23-19(27-15)13-25(2,3)14-20(23)29/h4-12,22,27H,13-14H2,1-3H3,(H,28,30)
InChIKeyLVRPKKFTBNASSR-UHFFFAOYSA-N
XLogP5.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.94
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-(6-Chloro-2-hydroxy-4-phenylquinolin-3-yl)ethanone
CID 678849
3-[(4-Chlorophenyl)amino]-5-phenylcyclohex-2-en-1-one
CID 5039173
N-(4-chlorophenyl)-2-(4-phenylcyclohexyl)acetamide
CID 121325203
2,6-Dimethyl-N(3),N(5),4-triphenyl-1,4-dihydro-3,5-pyridinedicarboxamide
CID 358533
4-tert-butyl-N-(4-chlorophenyl)benzamide
CID 667626
3-(4-Chloroanilino)-5-(4-methylphenyl)cyclohex-2-en-1-one
CID 2886434
N-[3-(4-chloroanilino)-1,4-dioxonaphthalen-2-yl]benzamide
CID 4112523
FFA3 modulator TUG-1907
CID 155511466
N-(2-chloro-5-methylphenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 155514597
4-cyclopropyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 155516172
2-methyl-N-(2-methylphenyl)-5-oxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 155516295
4-butan-2-yl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 155519653

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide (CID 52949216) is N-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide is CC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2ccccc2)C2=C(CC(C)(C)CC2=O)N1.
What is the InChIKey of N-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is LVRPKKFTBNASSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O2/c1-15-21(24(30)28-18-11-9-17(26)10-12-18)22(16-7-5-4-6-8-16)23-19(27-15)13-25(2,3)14-20(23)29/h4-12,22,27H,13-14H2,1-3H3,(H,28,30).
What are the key properties of N-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide?
N-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 420.94 g/mol, XLogP of 5.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 52949216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).