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

C26H29N3O2 — CID 7309170

IUPAC(4S)-2,7,7-trimethyl-4-(2-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxamide
SMILESCC1=NC2=C(C(=O)CC(C)(C)C2)[C@H](c2ccccc2C)C1C(=O)Nc1cc(C)ccn1
InChIInChI=1S/C26H29N3O2/c1-15-10-11-27-21(12-15)29-25(31)22-17(3)28-19-13-26(4,5)14-20(30)24(19)23(22)18-9-7-6-8-16(18)2/h6-12,22-23H,13-14H2,1-5H3,(H,27,29,31)/t22?,23-/m1/s1
InChIKeyFBTZCEAVCJIXGF-OZAIVSQSSA-N
MW415.54 g/mol
LogP5.15
Rot. Bonds3

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

(4S)-2,7,7-trimethyl-4-(2-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxamide (PubChem CID 7309170) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is (4S)-2,7,7-trimethyl-4-(2-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name(4S)-2,7,7-trimethyl-4-(2-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxamide
PubChem CID7309170
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name(4S)-2,7,7-trimethyl-4-(2-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxamide
SMILESCC1=NC2=C(C(=O)CC(C)(C)C2)[C@H](c2ccccc2C)C1C(=O)Nc1cc(C)ccn1
InChIInChI=1S/C26H29N3O2/c1-15-10-11-27-21(12-15)29-25(31)22-17(3)28-19-13-26(4,5)14-20(30)24(19)23(22)18-9-7-6-8-16(18)2/h6-12,22-23H,13-14H2,1-5H3,(H,27,29,31)/t22?,23-/m1/s1
InChIKeyFBTZCEAVCJIXGF-OZAIVSQSSA-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 (4S)-2,7,7-trimethyl-4-(2-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(4R)-4-(2-chlorophenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
CID 7309166
2,7,7-trimethyl-N-(2-methylphenyl)-4-(4-methylsulfanylphenyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxamide
CID 78587090
(4S)-4-(2-iodophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 6961631
methyl (4S)-4-(2,3-dichlorophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate
CID 7089245
4-(2-methoxyphenyl)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 15992845
(4R)-4-(2-chlorophenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-3,4,6,8-tetrahydroquinolin-5-one
CID 7089562
(4S)-4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 6933118
(4R)-2-methyl-4-(2-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1022510
methyl (4S)-2,7,7-trimethyl-5-oxo-4-pyridin-4-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate
CID 6936348
propan-2-yl (4R)-2,7,7-trimethyl-4-naphthalen-1-yl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate
CID 6968622
2-phenoxyethyl (4R)-4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate
CID 7089779
butyl (4S)-4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate
CID 7073465

Frequently Asked Questions

What is the IUPAC name of (4S)-2,7,7-trimethyl-4-(2-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of (4S)-2,7,7-trimethyl-4-(2-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxamide (CID 7309170) is (4S)-2,7,7-trimethyl-4-(2-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for (4S)-2,7,7-trimethyl-4-(2-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for (4S)-2,7,7-trimethyl-4-(2-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxamide is CC1=NC2=C(C(=O)CC(C)(C)C2)[C@H](c2ccccc2C)C1C(=O)Nc1cc(C)ccn1.
What is the InChIKey of (4S)-2,7,7-trimethyl-4-(2-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is FBTZCEAVCJIXGF-OZAIVSQSSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-15-10-11-27-21(12-15)29-25(31)22-17(3)28-19-13-26(4,5)14-20(30)24(19)23(22)18-9-7-6-8-16(18)2/h6-12,22-23H,13-14H2,1-5H3,(H,27,29,31)/t22?,23-/m1/s1.
What are the key properties of (4S)-2,7,7-trimethyl-4-(2-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxamide?
(4S)-2,7,7-trimethyl-4-(2-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-3,4,6,8-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 (4S)-2,7,7-trimethyl-4-(2-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 7309170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).