(4R,7R)-2,7-dimethyl-4-(2-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C25H27N3O2 — CID 51650072

IUPAC(4R,7R)-2,7-dimethyl-4-(2-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccccc2C)C2=C(C[C@@H](C)CC2=O)N1
InChIInChI=1S/C25H27N3O2/c1-14-9-10-21(26-13-14)28-25(30)22-17(4)27-19-11-15(2)12-20(29)24(19)23(22)18-8-6-5-7-16(18)3/h5-10,13,15,23,27H,11-12H2,1-4H3,(H,26,28,30)/t15-,23+/m1/s1
InChIKeyWNTQESCDHQYQQG-CMJOXMDJSA-N
MW401.51 g/mol
LogP4.55
Rot. Bonds3

About (4R,7R)-2,7-dimethyl-4-(2-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

(4R,7R)-2,7-dimethyl-4-(2-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 51650072) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is (4R,7R)-2,7-dimethyl-4-(2-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(4R,7R)-2,7-dimethyl-4-(2-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID51650072
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name(4R,7R)-2,7-dimethyl-4-(2-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccccc2C)C2=C(C[C@@H](C)CC2=O)N1
InChIInChI=1S/C25H27N3O2/c1-14-9-10-21(26-13-14)28-25(30)22-17(4)27-19-11-15(2)12-20(29)24(19)23(22)18-8-6-5-7-16(18)3/h5-10,13,15,23,27H,11-12H2,1-4H3,(H,26,28,30)/t15-,23+/m1/s1
InChIKeyWNTQESCDHQYQQG-CMJOXMDJSA-N
XLogP4.55
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R,7R)-2,7-dimethyl-4-(2-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

(4S,7S)-2,7-dimethyl-4-(2-methylphenyl)-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51408244
(4R,7S)-4-(4-bromophenyl)-2,7-dimethyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51421332
(4S)-4-(2-chlorophenyl)-2,7,7-trimethyl-N-(5-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 1348953
(4S,7S)-4-(4-chlorophenyl)-2,7-dimethyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51408269
(4R,7S)-2-methyl-N-(5-methyl-2-pyridinyl)-4-(3-methylthiophen-2-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1225636
(4S,7R)-4-[4-(dimethylamino)phenyl]-2,7-dimethyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51403018
(4R,7R)-2,7-dimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51408266
(4R)-2-methyl-4-(2-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1022510
(4R,7R)-4-(3-fluorophenyl)-2,7-dimethyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51408287
4-(2,4-dichlorophenyl)-7-(4-methoxyphenyl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 23804030
2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 4585046
(4S,7S)-4-(4-chlorophenyl)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51408272

Frequently Asked Questions

What is the IUPAC name of (4R,7R)-2,7-dimethyl-4-(2-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of (4R,7R)-2,7-dimethyl-4-(2-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 51650072) is (4R,7R)-2,7-dimethyl-4-(2-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for (4R,7R)-2,7-dimethyl-4-(2-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for (4R,7R)-2,7-dimethyl-4-(2-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccccc2C)C2=C(C[C@@H](C)CC2=O)N1.
What is the InChIKey of (4R,7R)-2,7-dimethyl-4-(2-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is WNTQESCDHQYQQG-CMJOXMDJSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-14-9-10-21(26-13-14)28-25(30)22-17(4)27-19-11-15(2)12-20(29)24(19)23(22)18-8-6-5-7-16(18)3/h5-10,13,15,23,27H,11-12H2,1-4H3,(H,26,28,30)/t15-,23+/m1/s1.
What are the key properties of (4R,7R)-2,7-dimethyl-4-(2-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
(4R,7R)-2,7-dimethyl-4-(2-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7R)-2,7-dimethyl-4-(2-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 51650072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).