N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide

C17H14N2O2 — CID 115598832

IUPACN-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide
SMILESO=C(NCc1ccccc1O)c1cccc2cccnc12
InChIInChI=1S/C17H14N2O2/c20-15-9-2-1-5-13(15)11-19-17(21)14-8-3-6-12-7-4-10-18-16(12)14/h1-10,20H,11H2,(H,19,21)
InChIKeyQAMOHCRTQOAJIA-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.87
Rot. Bonds3

About N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide

N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide (PubChem CID 115598832) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide
PubChem CID115598832
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide
SMILESO=C(NCc1ccccc1O)c1cccc2cccnc12
InChIInChI=1S/C17H14N2O2/c20-15-9-2-1-5-13(15)11-19-17(21)14-8-3-6-12-7-4-10-18-16(12)14/h1-10,20H,11H2,(H,19,21)
InChIKeyQAMOHCRTQOAJIA-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 107358803
2-bromo-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 103754998
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
N-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide
CID 61497887
N-[2-[(4-hydroxybenzoyl)amino]ethyl]quinoline-8-carboxamide
CID 60517244
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinoline-8-carboxamide
CID 114693848
N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]quinoline-8-carboxamide
CID 171504971
N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide
CID 51307001
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-8-carboxamide
CID 106165340
8-hydroxy-N-(pyridin-2-ylmethyl)quinoline-7-carboxamide
CID 53302604

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide (CID 115598832) is N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide is O=C(NCc1ccccc1O)c1cccc2cccnc12.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide?
The InChIKey is QAMOHCRTQOAJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-15-9-2-1-5-13(15)11-19-17(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-hydroxyphenyl)methyl]quinoline-8-carboxamide?
N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide is sourced from PubChem (CID 115598832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).