8-chloro-N-[(2,4-dihydroxyphenyl)methyl]-2-methylquinoline-4-carboxamide

C18H15ClN2O3 — CID 77080512

IUPAC8-chloro-N-[(2,4-dihydroxyphenyl)methyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(O)cc2O)c2cccc(Cl)c2n1
InChIInChI=1S/C18H15ClN2O3/c1-10-7-14(13-3-2-4-15(19)17(13)21-10)18(24)20-9-11-5-6-12(22)8-16(11)23/h2-8,22-23H,9H2,1H3,(H,20,24)
InChIKeyZIRKWFNCMQRDHV-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.54
Rot. Bonds3

About 8-chloro-N-[(2,4-dihydroxyphenyl)methyl]-2-methylquinoline-4-carboxamide

8-chloro-N-[(2,4-dihydroxyphenyl)methyl]-2-methylquinoline-4-carboxamide (PubChem CID 77080512) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 8-chloro-N-[(2,4-dihydroxyphenyl)methyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[(2,4-dihydroxyphenyl)methyl]-2-methylquinoline-4-carboxamide
PubChem CID77080512
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name8-chloro-N-[(2,4-dihydroxyphenyl)methyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(O)cc2O)c2cccc(Cl)c2n1
InChIInChI=1S/C18H15ClN2O3/c1-10-7-14(13-3-2-4-15(19)17(13)21-10)18(24)20-9-11-5-6-12(22)8-16(11)23/h2-8,22-23H,9H2,1H3,(H,20,24)
InChIKeyZIRKWFNCMQRDHV-UHFFFAOYSA-N
XLogP3.54
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide
CID 53016160
8-chloro-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylquinoline-4-carboxamide
CID 133132370
8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide
CID 110489310
N-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylbenzamide
CID 103863466
2-chloro-5-hydroxy-N-[(2-methylphenyl)methyl]benzamide
CID 106501455
8-chloro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide
CID 110489307
8-fluoro-2-methyl-N-propylquinoline-4-carboxamide
CID 110489274
2-(8-chloro-2-methylquinolin-4-yl)acetamide
CID 82575392
4-chloro-3-(8-chloro-2-methylquinolin-4-yl)phenol
CID 68879203
2-chloro-N-[(2-chlorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378301
4-chloro-N-[(2-hydroxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 114331675
3-chloro-2-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115703996

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(2,4-dihydroxyphenyl)methyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of 8-chloro-N-[(2,4-dihydroxyphenyl)methyl]-2-methylquinoline-4-carboxamide (CID 77080512) is 8-chloro-N-[(2,4-dihydroxyphenyl)methyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 8-chloro-N-[(2,4-dihydroxyphenyl)methyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for 8-chloro-N-[(2,4-dihydroxyphenyl)methyl]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NCc2ccc(O)cc2O)c2cccc(Cl)c2n1.
What is the InChIKey of 8-chloro-N-[(2,4-dihydroxyphenyl)methyl]-2-methylquinoline-4-carboxamide?
The InChIKey is ZIRKWFNCMQRDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-10-7-14(13-3-2-4-15(19)17(13)21-10)18(24)20-9-11-5-6-12(22)8-16(11)23/h2-8,22-23H,9H2,1H3,(H,20,24).
What are the key properties of 8-chloro-N-[(2,4-dihydroxyphenyl)methyl]-2-methylquinoline-4-carboxamide?
8-chloro-N-[(2,4-dihydroxyphenyl)methyl]-2-methylquinoline-4-carboxamide has a molecular weight of 342.78 g/mol, XLogP of 3.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[(2,4-dihydroxyphenyl)methyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 77080512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).