(4R)-2,7,7-trimethyl-4-(4-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxamide

C26H29N3O2 — CID 7309156

IUPAC(4R)-2,7,7-trimethyl-4-(4-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2ccc(C)cc2)C2C(=O)CC(C)(C)CC2=N1
InChIInChI=1S/C26H29N3O2/c1-15-6-8-18(9-7-15)23-22(25(31)29-21-12-16(2)10-11-27-21)17(3)28-19-13-26(4,5)14-20(30)24(19)23/h6-12,23-24H,13-14H2,1-5H3,(H,27,29,31)/t23-,24?/m1/s1
InChIKeyRDRPWCFFTOZOBA-MIHMCVIASA-N
MW415.54 g/mol
LogP5.15
Rot. Bonds3

About (4R)-2,7,7-trimethyl-4-(4-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxamide

(4R)-2,7,7-trimethyl-4-(4-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxamide (PubChem CID 7309156) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is (4R)-2,7,7-trimethyl-4-(4-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name(4R)-2,7,7-trimethyl-4-(4-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxamide
PubChem CID7309156
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name(4R)-2,7,7-trimethyl-4-(4-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2ccc(C)cc2)C2C(=O)CC(C)(C)CC2=N1
InChIInChI=1S/C26H29N3O2/c1-15-6-8-18(9-7-15)23-22(25(31)29-21-12-16(2)10-11-27-21)17(3)28-19-13-26(4,5)14-20(30)24(19)23/h6-12,23-24H,13-14H2,1-5H3,(H,27,29,31)/t23-,24?/m1/s1
InChIKeyRDRPWCFFTOZOBA-MIHMCVIASA-N
XLogP5.15
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

propan-2-yl (4S)-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate
CID 6961422
4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-4,4a,6,8-tetrahydroquinoline-3-carboxamide
CID 91097255
(4R)-2-methyl-4-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
CID 7499749
(4S)-2,7,7-trimethyl-N,4-bis(2-methylphenyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxamide
CID 6970655
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-N-(2-methylphenyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxamide
CID 7909984
methyl 2,7,7-trimethyl-5-oxo-4-pyridin-3-yl-4,4a,6,8-tetrahydroquinoline-3-carboxylate
CID 91320725
(9R)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
CID 7014014
cyclopentyl (4S)-4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate
CID 7080026
(4S,4aR,7R)-2,7-dimethyl-N-(5-methyl-2-pyridinyl)-5-oxo-4-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
CID 11899724
methyl (4S)-4-(3-methoxy-4-propoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate
CID 7085940
methyl (4R)-2,7,7-trimethyl-4-[5-(4-methylphenyl)furan-2-yl]-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate
CID 7103338
2-ethylsulfanylethyl (4S)-4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate
CID 7103532

Frequently Asked Questions

What is the IUPAC name of (4R)-2,7,7-trimethyl-4-(4-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of (4R)-2,7,7-trimethyl-4-(4-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxamide (CID 7309156) is (4R)-2,7,7-trimethyl-4-(4-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for (4R)-2,7,7-trimethyl-4-(4-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for (4R)-2,7,7-trimethyl-4-(4-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxamide is CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2ccc(C)cc2)C2C(=O)CC(C)(C)CC2=N1.
What is the InChIKey of (4R)-2,7,7-trimethyl-4-(4-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is RDRPWCFFTOZOBA-MIHMCVIASA-N. The full InChI is InChI=1S/C26H29N3O2/c1-15-6-8-18(9-7-15)23-22(25(31)29-21-12-16(2)10-11-27-21)17(3)28-19-13-26(4,5)14-20(30)24(19)23/h6-12,23-24H,13-14H2,1-5H3,(H,27,29,31)/t23-,24?/m1/s1.
What are the key properties of (4R)-2,7,7-trimethyl-4-(4-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxamide?
(4R)-2,7,7-trimethyl-4-(4-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,7,7-trimethyl-4-(4-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 7309156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).