(4S)-N-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-4-(4-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide

C29H34N2O4 — CID 51420039

IUPAC(4S)-N-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-4-(4-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide
SMILESCCCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C29H34N2O4/c1-6-15-35-20-13-11-19(12-14-20)26-25(28(33)31-21-9-7-8-10-24(21)34-5)18(2)30-22-16-29(3,4)17-23(32)27(22)26/h7-14,26,30H,6,15-17H2,1-5H3,(H,31,33)/t26-/m1/s1
InChIKeyQMYLKSAZQQFVNV-AREMUKBSSA-N
MW474.60 g/mol
LogP5.73
Rot. Bonds7

About (4S)-N-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-4-(4-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide

(4S)-N-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-4-(4-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide (PubChem CID 51420039) has the molecular formula C29H34N2O4 and a molecular weight of 474.60 g/mol. Its IUPAC name is (4S)-N-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-4-(4-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name(4S)-N-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-4-(4-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide
PubChem CID51420039
Molecular FormulaC29H34N2O4
Molecular Weight474.60 g/mol
Exact Mass474.25
IUPAC Name(4S)-N-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-4-(4-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide
SMILESCCCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C29H34N2O4/c1-6-15-35-20-13-11-19(12-14-20)26-25(28(33)31-21-9-7-8-10-24(21)34-5)18(2)30-22-16-29(3,4)17-23(32)27(22)26/h7-14,26,30H,6,15-17H2,1-5H3,(H,31,33)/t26-/m1/s1
InChIKeyQMYLKSAZQQFVNV-AREMUKBSSA-N
XLogP5.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-N-(2-methoxyphenyl)-4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 996833
4-(2-butoxyphenyl)-N-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 3142941
4-(4-methoxyphenyl)-2,7,7-trimethyl-N-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 3142904
(4S)-N-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 996842
4-(3-fluorophenyl)-N-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 3142947
4-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 3142920
4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 3142928
(4S)-N-(2-methoxyphenyl)-4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51420056
4-(4-fluorophenyl)-2,7,7-trimethyl-N-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 3142899
N-(2-fluorophenyl)-4-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 2901043
(4S)-4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-N-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 1014866
4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-N-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 3142906

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-4-(4-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of (4S)-N-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-4-(4-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide (CID 51420039) is (4S)-N-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-4-(4-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for (4S)-N-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-4-(4-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for (4S)-N-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-4-(4-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide is CCCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of (4S)-N-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-4-(4-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is QMYLKSAZQQFVNV-AREMUKBSSA-N. The full InChI is InChI=1S/C29H34N2O4/c1-6-15-35-20-13-11-19(12-14-20)26-25(28(33)31-21-9-7-8-10-24(21)34-5)18(2)30-22-16-29(3,4)17-23(32)27(22)26/h7-14,26,30H,6,15-17H2,1-5H3,(H,31,33)/t26-/m1/s1.
What are the key properties of (4S)-N-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-4-(4-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide?
(4S)-N-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-4-(4-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 474.60 g/mol, XLogP of 5.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-4-(4-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 51420039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).