5-chloro-2-oxo-N-(2-phenylethyl)-1-[(4-propan-2-ylphenyl)methyl]quinoline-3-carboxamide

C28H27ClN2O2 — CID 134145099

IUPAC5-chloro-2-oxo-N-(2-phenylethyl)-1-[(4-propan-2-ylphenyl)methyl]quinoline-3-carboxamide
SMILESCC(C)c1ccc(Cn2c(=O)c(C(=O)NCCc3ccccc3)cc3c(Cl)cccc32)cc1
InChIInChI=1S/C28H27ClN2O2/c1-19(2)22-13-11-21(12-14-22)18-31-26-10-6-9-25(29)23(26)17-24(28(31)33)27(32)30-16-15-20-7-4-3-5-8-20/h3-14,17,19H,15-16,18H2,1-2H3,(H,30,32)
InChIKeyUOKCHKYDIXALGS-UHFFFAOYSA-N
MW458.99 g/mol
LogP5.80
Rot. Bonds7

About 5-chloro-2-oxo-N-(2-phenylethyl)-1-[(4-propan-2-ylphenyl)methyl]quinoline-3-carboxamide

5-chloro-2-oxo-N-(2-phenylethyl)-1-[(4-propan-2-ylphenyl)methyl]quinoline-3-carboxamide (PubChem CID 134145099) has the molecular formula C28H27ClN2O2 and a molecular weight of 458.99 g/mol. Its IUPAC name is 5-chloro-2-oxo-N-(2-phenylethyl)-1-[(4-propan-2-ylphenyl)methyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-oxo-N-(2-phenylethyl)-1-[(4-propan-2-ylphenyl)methyl]quinoline-3-carboxamide
PubChem CID134145099
Molecular FormulaC28H27ClN2O2
Molecular Weight458.99 g/mol
Exact Mass458.18
IUPAC Name5-chloro-2-oxo-N-(2-phenylethyl)-1-[(4-propan-2-ylphenyl)methyl]quinoline-3-carboxamide
SMILESCC(C)c1ccc(Cn2c(=O)c(C(=O)NCCc3ccccc3)cc3c(Cl)cccc32)cc1
InChIInChI=1S/C28H27ClN2O2/c1-19(2)22-13-11-21(12-14-22)18-31-26-10-6-9-25(29)23(26)17-24(28(31)33)27(32)30-16-15-20-7-4-3-5-8-20/h3-14,17,19H,15-16,18H2,1-2H3,(H,30,32)
InChIKeyUOKCHKYDIXALGS-UHFFFAOYSA-N
XLogP5.80
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.99
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-oxo-N-(2-phenylethyl)-1-[(4-propan-2-ylphenyl)methyl]quinoline-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-oxo-N-(2-phenylethyl)-1-[(4-propan-2-ylphenyl)methyl]quinoline-3-carboxamide?
The IUPAC name of 5-chloro-2-oxo-N-(2-phenylethyl)-1-[(4-propan-2-ylphenyl)methyl]quinoline-3-carboxamide (CID 134145099) is 5-chloro-2-oxo-N-(2-phenylethyl)-1-[(4-propan-2-ylphenyl)methyl]quinoline-3-carboxamide.
What is the SMILES notation for 5-chloro-2-oxo-N-(2-phenylethyl)-1-[(4-propan-2-ylphenyl)methyl]quinoline-3-carboxamide?
The canonical SMILES for 5-chloro-2-oxo-N-(2-phenylethyl)-1-[(4-propan-2-ylphenyl)methyl]quinoline-3-carboxamide is CC(C)c1ccc(Cn2c(=O)c(C(=O)NCCc3ccccc3)cc3c(Cl)cccc32)cc1.
What is the InChIKey of 5-chloro-2-oxo-N-(2-phenylethyl)-1-[(4-propan-2-ylphenyl)methyl]quinoline-3-carboxamide?
The InChIKey is UOKCHKYDIXALGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN2O2/c1-19(2)22-13-11-21(12-14-22)18-31-26-10-6-9-25(29)23(26)17-24(28(31)33)27(32)30-16-15-20-7-4-3-5-8-20/h3-14,17,19H,15-16,18H2,1-2H3,(H,30,32).
What are the key properties of 5-chloro-2-oxo-N-(2-phenylethyl)-1-[(4-propan-2-ylphenyl)methyl]quinoline-3-carboxamide?
5-chloro-2-oxo-N-(2-phenylethyl)-1-[(4-propan-2-ylphenyl)methyl]quinoline-3-carboxamide has a molecular weight of 458.99 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-oxo-N-(2-phenylethyl)-1-[(4-propan-2-ylphenyl)methyl]quinoline-3-carboxamide is sourced from PubChem (CID 134145099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).