N-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide

C17H14N2O2 — CID 61497887

IUPACN-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide
SMILESO=C(Nc1ccccc1CO)c1cccc2cccnc12
InChIInChI=1S/C17H14N2O2/c20-11-13-5-1-2-9-15(13)19-17(21)14-8-3-6-12-7-4-10-18-16(12)14/h1-10,20H,11H2,(H,19,21)
InChIKeyLUXHTLBDLHSHOP-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.98
Rot. Bonds3

About N-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide

N-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide (PubChem CID 61497887) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide
PubChem CID61497887
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide
SMILESO=C(Nc1ccccc1CO)c1cccc2cccnc12
InChIInChI=1S/C17H14N2O2/c20-11-13-5-1-2-9-15(13)19-17(21)14-8-3-6-12-7-4-10-18-16(12)14/h1-10,20H,11H2,(H,19,21)
InChIKeyLUXHTLBDLHSHOP-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

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Related Compounds

N-(2-bromophenyl)quinoline-8-carboxamide
CID 60651885
2-(aminomethyl)-N-quinolin-8-ylbenzamide
CID 82546402
N-[2-(hydroxymethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 61497876
N-(2,3-dimethylphenyl)quinoline-8-carboxamide
CID 30267815
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
3-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846762
N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide
CID 115598832
3-hydroxy-N-[2-(hydroxymethyl)phenyl]-2-methylbenzamide
CID 82828984
3-bromo-N-[2-(hydroxymethyl)phenyl]pyridine-2-carboxamide
CID 107518361
N-(2-bromo-3-pyridinyl)naphthalene-1-carboxamide
CID 103819240
N-[2-(4-ethylpiperazin-1-yl)phenyl]quinoline-8-carboxamide
CID 99147654
3-(naphthalen-1-ylcarbamoyl)pyridine-2-carboxylic acid
CID 71396226

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide (CID 61497887) is N-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide is O=C(Nc1ccccc1CO)c1cccc2cccnc12.
What is the InChIKey of N-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide?
The InChIKey is LUXHTLBDLHSHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-11-13-5-1-2-9-15(13)19-17(21)14-8-3-6-12-7-4-10-18-16(12)14/h1-10,20H,11H2,(H,19,21).
What are the key properties of N-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide?
N-[2-(hydroxymethyl)phenyl]quinoline-8-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-8-carboxamide is sourced from PubChem (CID 61497887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).