methyl 2-(4-carbamoyl-2-phenylquinolin-3-yl)-2-phenylacetate

C25H20N2O3 — CID 67629826

IUPACmethyl 2-(4-carbamoyl-2-phenylquinolin-3-yl)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)c1c(-c2ccccc2)nc2ccccc2c1C(N)=O
InChIInChI=1S/C25H20N2O3/c1-30-25(29)20(16-10-4-2-5-11-16)22-21(24(26)28)18-14-8-9-15-19(18)27-23(22)17-12-6-3-7-13-17/h2-15,20H,1H3,(H2,26,28)
InChIKeyYJSAUZQKQUPKNE-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.31
Rot. Bonds5

About methyl 2-(4-carbamoyl-2-phenylquinolin-3-yl)-2-phenylacetate

methyl 2-(4-carbamoyl-2-phenylquinolin-3-yl)-2-phenylacetate (PubChem CID 67629826) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is methyl 2-(4-carbamoyl-2-phenylquinolin-3-yl)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(4-carbamoyl-2-phenylquinolin-3-yl)-2-phenylacetate
PubChem CID67629826
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Namemethyl 2-(4-carbamoyl-2-phenylquinolin-3-yl)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)c1c(-c2ccccc2)nc2ccccc2c1C(N)=O
InChIInChI=1S/C25H20N2O3/c1-30-25(29)20(16-10-4-2-5-11-16)22-21(24(26)28)18-14-8-9-15-19(18)27-23(22)17-12-6-3-7-13-17/h2-15,20H,1H3,(H2,26,28)
InChIKeyYJSAUZQKQUPKNE-UHFFFAOYSA-N
XLogP4.31
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(4-carbamoyl-2-phenylquinolin-3-yl)-2-phenylacetate 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

3-amino-2-phenylquinoline-4-carboxamide
CID 140977990
3-(2-methylsulfanylethyl)-2-phenylquinoline-4-carboxamide
CID 154178448
3-methyl-5-(2-oxo-1-phenylpropyl)-2-phenylquinoline-4-carboxamide
CID 67630284
methyl 2-[2-(3-methylphenyl)quinolin-4-yl]-2-phenylacetate
CID 132581240
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
3-amino-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 10762413
3-amino-N-[cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide
CID 52942335
methyl 3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxylate
CID 10781962
5-[(1S)-2-cyano-1-phenylethyl]-3-methoxy-2-phenylquinoline-4-carboxamide
CID 140532646
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
methyl acridine-9-carboxylate
CID 21211
N-(diaminomethylidene)-3-methyl-2-phenylquinoline-4-carboxamide
CID 54166006

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-carbamoyl-2-phenylquinolin-3-yl)-2-phenylacetate?
The IUPAC name of methyl 2-(4-carbamoyl-2-phenylquinolin-3-yl)-2-phenylacetate (CID 67629826) is methyl 2-(4-carbamoyl-2-phenylquinolin-3-yl)-2-phenylacetate.
What is the SMILES notation for methyl 2-(4-carbamoyl-2-phenylquinolin-3-yl)-2-phenylacetate?
The canonical SMILES for methyl 2-(4-carbamoyl-2-phenylquinolin-3-yl)-2-phenylacetate is COC(=O)C(c1ccccc1)c1c(-c2ccccc2)nc2ccccc2c1C(N)=O.
What is the InChIKey of methyl 2-(4-carbamoyl-2-phenylquinolin-3-yl)-2-phenylacetate?
The InChIKey is YJSAUZQKQUPKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c1-30-25(29)20(16-10-4-2-5-11-16)22-21(24(26)28)18-14-8-9-15-19(18)27-23(22)17-12-6-3-7-13-17/h2-15,20H,1H3,(H2,26,28).
What are the key properties of methyl 2-(4-carbamoyl-2-phenylquinolin-3-yl)-2-phenylacetate?
methyl 2-(4-carbamoyl-2-phenylquinolin-3-yl)-2-phenylacetate has a molecular weight of 396.45 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-carbamoyl-2-phenylquinolin-3-yl)-2-phenylacetate is sourced from PubChem (CID 67629826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).