N-[2-(hydroxymethyl)phenyl]quinoline-2-carboxamide

C17H14N2O2 — CID 60653534

IUPACN-[2-(hydroxymethyl)phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1ccccc1CO)c1ccc2ccccc2n1
InChIInChI=1S/C17H14N2O2/c20-11-13-6-2-4-8-15(13)19-17(21)16-10-9-12-5-1-3-7-14(12)18-16/h1-10,20H,11H2,(H,19,21)
InChIKeyXTMZSYRJQILATO-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.98
Rot. Bonds3

About N-[2-(hydroxymethyl)phenyl]quinoline-2-carboxamide

N-[2-(hydroxymethyl)phenyl]quinoline-2-carboxamide (PubChem CID 60653534) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)phenyl]quinoline-2-carboxamide
PubChem CID60653534
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-[2-(hydroxymethyl)phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1ccccc1CO)c1ccc2ccccc2n1
InChIInChI=1S/C17H14N2O2/c20-11-13-6-2-4-8-15(13)19-17(21)16-10-9-12-5-1-3-7-14(12)18-16/h1-10,20H,11H2,(H,19,21)
InChIKeyXTMZSYRJQILATO-UHFFFAOYSA-N
XLogP2.98
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(hydroxymethyl)phenyl]quinoline-2-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

N-[2-[(2,2-difluoroacetyl)amino]phenyl]quinoline-2-carboxamide
CID 119050195
N-(2-chlorophenyl)quinoline-2-carboxamide
CID 878226
N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 127043003
N-(3-hydroxy-2-methylphenyl)quinoline-2-carboxamide
CID 64794719
N-(2-cyanophenyl)quinoline-2-carboxamide
CID 10588311
8-(quinoline-2-carbonylamino)quinoline-2-carboxylic acid
CID 118902335
N-(2-bromo-3-chlorophenyl)quinoline-2-carboxamide
CID 103480047
N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide
CID 68840052
N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide
CID 91594053
N-[8-(4-chlorophenyl)naphthalen-1-yl]quinoline-2-carboxamide
CID 71659919
[5-iodo-2-(quinoline-2-carbonylamino)phenyl]methyl acetate
CID 72723273
N-(4-chloro-2-iodophenyl)quinoline-2-carboxamide
CID 107640561

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)phenyl]quinoline-2-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)phenyl]quinoline-2-carboxamide (CID 60653534) is N-[2-(hydroxymethyl)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)phenyl]quinoline-2-carboxamide is O=C(Nc1ccccc1CO)c1ccc2ccccc2n1.
What is the InChIKey of N-[2-(hydroxymethyl)phenyl]quinoline-2-carboxamide?
The InChIKey is XTMZSYRJQILATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-11-13-6-2-4-8-15(13)19-17(21)16-10-9-12-5-1-3-7-14(12)18-16/h1-10,20H,11H2,(H,19,21).
What are the key properties of N-[2-(hydroxymethyl)phenyl]quinoline-2-carboxamide?
N-[2-(hydroxymethyl)phenyl]quinoline-2-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 60653534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).