N-[(2-chlorophenyl)methyl]-8-hydroxyquinoline-2-carboxamide

C17H13ClN2O2 — CID 46364203

IUPACN-[(2-chlorophenyl)methyl]-8-hydroxyquinoline-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc2cccc(O)c2n1
InChIInChI=1S/C17H13ClN2O2/c18-13-6-2-1-4-12(13)10-19-17(22)14-9-8-11-5-3-7-15(21)16(11)20-14/h1-9,21H,10H2,(H,19,22)
InChIKeyDBWDOHYNLMVBBJ-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.52
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-8-hydroxyquinoline-2-carboxamide

N-[(2-chlorophenyl)methyl]-8-hydroxyquinoline-2-carboxamide (PubChem CID 46364203) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-8-hydroxyquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-8-hydroxyquinoline-2-carboxamide
PubChem CID46364203
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC NameN-[(2-chlorophenyl)methyl]-8-hydroxyquinoline-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc2cccc(O)c2n1
InChIInChI=1S/C17H13ClN2O2/c18-13-6-2-1-4-12(13)10-19-17(22)14-9-8-11-5-3-7-15(21)16(11)20-14/h1-9,21H,10H2,(H,19,22)
InChIKeyDBWDOHYNLMVBBJ-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-8-hydroxyquinoline-2-carboxamide
CID 46364206
2-N-[(2-chlorophenyl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093646
N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2-carboxamide
CID 110851400
2-N-[(2-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094410
6-N-tert-butyl-2-N-[(2-chlorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097887
N-[(2-chlorophenyl)methyl]-6-(dimethylamino)pyridine-2-carboxamide
CID 84575011
N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide
CID 51307001
N-(4-chlorophenyl)-8-hydroxyquinoline-2-carboxamide
CID 122182106
N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide
CID 2707271
2-N-[(2-chlorophenyl)methyl]-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109097915
2-N-[(2-chlorophenyl)methyl]-6-N-(4-ethylphenyl)pyridine-2,6-dicarboxamide
CID 109097909
N,1-bis[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 42594376

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-8-hydroxyquinoline-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-8-hydroxyquinoline-2-carboxamide (CID 46364203) is N-[(2-chlorophenyl)methyl]-8-hydroxyquinoline-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-8-hydroxyquinoline-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-8-hydroxyquinoline-2-carboxamide is O=C(NCc1ccccc1Cl)c1ccc2cccc(O)c2n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-8-hydroxyquinoline-2-carboxamide?
The InChIKey is DBWDOHYNLMVBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-13-6-2-1-4-12(13)10-19-17(22)14-9-8-11-5-3-7-15(21)16(11)20-14/h1-9,21H,10H2,(H,19,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-8-hydroxyquinoline-2-carboxamide?
N-[(2-chlorophenyl)methyl]-8-hydroxyquinoline-2-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-8-hydroxyquinoline-2-carboxamide is sourced from PubChem (CID 46364203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).