(3S,4R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate

C24H20NO4- — CID 8003279

IUPAC(3S,4R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate
SMILESCOc1ccc([C@@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C24H21NO4/c1-15-7-11-17(12-8-15)25-22(16-9-13-18(29-2)14-10-16)21(24(27)28)19-5-3-4-6-20(19)23(25)26/h3-14,21-22H,1-2H3,(H,27,28)/p-1/t21-,22-/m1/s1
InChIKeyKSRZMEILZGDLNK-FGZHOGPDSA-M
MW386.43 g/mol
LogP3.24
Rot. Bonds4

About (3S,4R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate

(3S,4R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate (PubChem CID 8003279) has the molecular formula C24H20NO4- and a molecular weight of 386.43 g/mol. Its IUPAC name is (3S,4R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate.

Molecular Properties

Compound Name(3S,4R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate
PubChem CID8003279
Molecular FormulaC24H20NO4-
Molecular Weight386.43 g/mol
Exact Mass386.14
IUPAC Name(3S,4R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate
SMILESCOc1ccc([C@@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C24H21NO4/c1-15-7-11-17(12-8-15)25-22(16-9-13-18(29-2)14-10-16)21(24(27)28)19-5-3-4-6-20(19)23(25)26/h3-14,21-22H,1-2H3,(H,27,28)/p-1/t21-,22-/m1/s1
InChIKeyKSRZMEILZGDLNK-FGZHOGPDSA-M
XLogP3.24
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate 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

sodium (3R,4S)-2-(4-methoxyphenyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylate
CID 129160423
(3R,4R)-3-(4-methoxyphenyl)-1-oxo-2-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid
CID 118560922
2-(4-methoxyphenyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid
CID 118560901
(3R,4R)-2,3-bis(4-methoxyphenyl)-N,N-dimethyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 129160416
4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one
CID 12694474
ethyl 4-[2,3-bis(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperazine-1-carboxylate
CID 45105969
2,3-bis(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 15995070
N-(3,4-dimethoxyphenyl)-2,3-bis(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 22334189
(3R,4S)-2,3-bis(4-methoxyphenyl)-1-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide
CID 92945843
2,3-bis(4-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)-3,4-dihydroisoquinolin-1-one
CID 22334203
(3S,4R)-N-[4-(dimethylamino)phenyl]-2,3-bis(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 51664977
3-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-1-oxo-2-phenyl-3,4-dihydroisoquinoline-4-carboxamide
CID 129160428

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate?
The IUPAC name of (3S,4R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate (CID 8003279) is (3S,4R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate.
What is the SMILES notation for (3S,4R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate?
The canonical SMILES for (3S,4R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate is COc1ccc([C@@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2c2ccc(C)cc2)cc1.
What is the InChIKey of (3S,4R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate?
The InChIKey is KSRZMEILZGDLNK-FGZHOGPDSA-M. The full InChI is InChI=1S/C24H21NO4/c1-15-7-11-17(12-8-15)25-22(16-9-13-18(29-2)14-10-16)21(24(27)28)19-5-3-4-6-20(19)23(25)26/h3-14,21-22H,1-2H3,(H,27,28)/p-1/t21-,22-/m1/s1.
What are the key properties of (3S,4R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate?
(3S,4R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate has a molecular weight of 386.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate is sourced from PubChem (CID 8003279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).