N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-6-piperidin-1-ylpyridine-3-carboxamide

C30H26ClN5O3 — CID 71217330

IUPACN-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-6-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCc1c(-c2ncco2)n(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C30H26ClN5O3/c31-21-10-11-23-25(17-21)36(22-7-3-1-4-8-22)27(30-32-13-16-39-30)24(28(23)37)19-34-29(38)20-9-12-26(33-18-20)35-14-5-2-6-15-35/h1,3-4,7-13,16-18H,2,5-6,14-15,19H2,(H,34,38)
InChIKeyMPENHOGBGNUSQC-UHFFFAOYSA-N
MW540.02 g/mol
LogP5.61
Rot. Bonds6

About N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-6-piperidin-1-ylpyridine-3-carboxamide

N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-6-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 71217330) has the molecular formula C30H26ClN5O3 and a molecular weight of 540.02 g/mol. Its IUPAC name is N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-6-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-6-piperidin-1-ylpyridine-3-carboxamide
PubChem CID71217330
Molecular FormulaC30H26ClN5O3
Molecular Weight540.02 g/mol
Exact Mass539.17
IUPAC NameN-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-6-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCc1c(-c2ncco2)n(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C30H26ClN5O3/c31-21-10-11-23-25(17-21)36(22-7-3-1-4-8-22)27(30-32-13-16-39-30)24(28(23)37)19-34-29(38)20-9-12-26(33-18-20)35-14-5-2-6-15-35/h1,3-4,7-13,16-18H,2,5-6,14-15,19H2,(H,34,38)
InChIKeyMPENHOGBGNUSQC-UHFFFAOYSA-N
XLogP5.61
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.02
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-6-piperidin-1-ylpyridine-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 N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-6-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-6-piperidin-1-ylpyridine-3-carboxamide (CID 71217330) is N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-6-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-6-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-6-piperidin-1-ylpyridine-3-carboxamide is O=C(NCc1c(-c2ncco2)n(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(N2CCCCC2)nc1.
What is the InChIKey of N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-6-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is MPENHOGBGNUSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClN5O3/c31-21-10-11-23-25(17-21)36(22-7-3-1-4-8-22)27(30-32-13-16-39-30)24(28(23)37)19-34-29(38)20-9-12-26(33-18-20)35-14-5-2-6-15-35/h1,3-4,7-13,16-18H,2,5-6,14-15,19H2,(H,34,38).
What are the key properties of N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-6-piperidin-1-ylpyridine-3-carboxamide?
N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-6-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 540.02 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-6-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 71217330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).