5-chloro-N-[3-(hydroxymethyl)phenyl]quinoline-8-carboxamide

C17H13ClN2O2 — CID 110910882

IUPAC5-chloro-N-[3-(hydroxymethyl)phenyl]quinoline-8-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H13ClN2O2/c18-15-7-6-14(16-13(15)5-2-8-19-16)17(22)20-12-4-1-3-11(9-12)10-21/h1-9,21H,10H2,(H,20,22)
InChIKeyYETFFJRXOMOTRR-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.63
Rot. Bonds3

About 5-chloro-N-[3-(hydroxymethyl)phenyl]quinoline-8-carboxamide

5-chloro-N-[3-(hydroxymethyl)phenyl]quinoline-8-carboxamide (PubChem CID 110910882) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 5-chloro-N-[3-(hydroxymethyl)phenyl]quinoline-8-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(hydroxymethyl)phenyl]quinoline-8-carboxamide
PubChem CID110910882
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name5-chloro-N-[3-(hydroxymethyl)phenyl]quinoline-8-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H13ClN2O2/c18-15-7-6-14(16-13(15)5-2-8-19-16)17(22)20-12-4-1-3-11(9-12)10-21/h1-9,21H,10H2,(H,20,22)
InChIKeyYETFFJRXOMOTRR-UHFFFAOYSA-N
XLogP3.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[3-(hydroxymethyl)phenyl]quinoline-8-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

2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 51891437
5-chloro-N-[4-(2-hydroxyethyl)phenyl]quinoline-8-carboxamide
CID 110922888
4-chloro-2-hydroxy-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60715835
N-[3-(bromomethyl)phenyl]quinoline-8-carboxamide
CID 114307205
N-[3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 75435675
2-chloro-5-fluoro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 114034177
2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide
CID 103605214
3,5-dichloro-N-[3-(hydroxymethyl)phenyl]-2-iodobenzamide
CID 60630083
3,5-dichloro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629922
3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide
CID 66464804
5-chloro-N-cyclohexylquinoline-8-carboxamide
CID 37248042
2,3-difluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 62660527

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(hydroxymethyl)phenyl]quinoline-8-carboxamide?
The IUPAC name of 5-chloro-N-[3-(hydroxymethyl)phenyl]quinoline-8-carboxamide (CID 110910882) is 5-chloro-N-[3-(hydroxymethyl)phenyl]quinoline-8-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(hydroxymethyl)phenyl]quinoline-8-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(hydroxymethyl)phenyl]quinoline-8-carboxamide is O=C(Nc1cccc(CO)c1)c1ccc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-N-[3-(hydroxymethyl)phenyl]quinoline-8-carboxamide?
The InChIKey is YETFFJRXOMOTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-15-7-6-14(16-13(15)5-2-8-19-16)17(22)20-12-4-1-3-11(9-12)10-21/h1-9,21H,10H2,(H,20,22).
What are the key properties of 5-chloro-N-[3-(hydroxymethyl)phenyl]quinoline-8-carboxamide?
5-chloro-N-[3-(hydroxymethyl)phenyl]quinoline-8-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(hydroxymethyl)phenyl]quinoline-8-carboxamide is sourced from PubChem (CID 110910882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).