3-amino-5-cyano-4-(3-hydroxy-2-methylphenyl)quinoline-2-carboxamide

C18H14N4O2 — CID 171645235

IUPAC3-amino-5-cyano-4-(3-hydroxy-2-methylphenyl)quinoline-2-carboxamide
SMILESCc1c(O)cccc1-c1c(N)c(C(N)=O)nc2cccc(C#N)c12
InChIInChI=1S/C18H14N4O2/c1-9-11(5-3-7-13(9)23)15-14-10(8-19)4-2-6-12(14)22-17(16(15)20)18(21)24/h2-7,23H,20H2,1H3,(H2,21,24)
InChIKeyMESLEUYNUZGDBT-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.47
Rot. Bonds2

About 3-amino-5-cyano-4-(3-hydroxy-2-methylphenyl)quinoline-2-carboxamide

3-amino-5-cyano-4-(3-hydroxy-2-methylphenyl)quinoline-2-carboxamide (PubChem CID 171645235) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 3-amino-5-cyano-4-(3-hydroxy-2-methylphenyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-cyano-4-(3-hydroxy-2-methylphenyl)quinoline-2-carboxamide
PubChem CID171645235
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name3-amino-5-cyano-4-(3-hydroxy-2-methylphenyl)quinoline-2-carboxamide
SMILESCc1c(O)cccc1-c1c(N)c(C(N)=O)nc2cccc(C#N)c12
InChIInChI=1S/C18H14N4O2/c1-9-11(5-3-7-13(9)23)15-14-10(8-19)4-2-6-12(14)22-17(16(15)20)18(21)24/h2-7,23H,20H2,1H3,(H2,21,24)
InChIKeyMESLEUYNUZGDBT-UHFFFAOYSA-N
XLogP2.47
TPSA126.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile
CID 134158360
3-Amino-4-(3-hydroxy-2-methylphenyl)-1,5-naphthyridine-2-carboxamide
CID 171645002
6-Amino-4-cyano-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide
CID 171645243
6-hydroxy-N-methyl-4-phenylquinoline-2-carboxamide
CID 102530429
3-Amino-6-(3,5-difluorophenyl)-4-(3-hydroxy-2,6-dimethylphenyl)pyridine-2-carboxamide
CID 170346535
3-Amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 177283417
3-Amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 177283529
4-N-[3-[(4-cyano-2-hydroxyphenyl)methyl]-2-methyl-7-(trifluoromethyl)cyclohepta-1,6-dien-1-yl]-7-fluoroquinoline-2,4-dicarboxamide
CID 126562020
4-(2-Fluoro-4-hydroxyphenyl)quinoline-2-carboxamide
CID 136504545
3-Amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(trifluoromethyl)quinoline-2-carboxamide
CID 171644989
3-Amino-8-fluoro-4-(3-hydroxy-2,6-dimethylphenyl)quinoline-2-carboxamide
CID 171645099
3-Amino-7-fluoro-4-(3-hydroxy-2,6-dimethylphenyl)quinoline-2-carboxamide
CID 171645119

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-cyano-4-(3-hydroxy-2-methylphenyl)quinoline-2-carboxamide?
The IUPAC name of 3-amino-5-cyano-4-(3-hydroxy-2-methylphenyl)quinoline-2-carboxamide (CID 171645235) is 3-amino-5-cyano-4-(3-hydroxy-2-methylphenyl)quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-5-cyano-4-(3-hydroxy-2-methylphenyl)quinoline-2-carboxamide?
The canonical SMILES for 3-amino-5-cyano-4-(3-hydroxy-2-methylphenyl)quinoline-2-carboxamide is Cc1c(O)cccc1-c1c(N)c(C(N)=O)nc2cccc(C#N)c12.
What is the InChIKey of 3-amino-5-cyano-4-(3-hydroxy-2-methylphenyl)quinoline-2-carboxamide?
The InChIKey is MESLEUYNUZGDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-9-11(5-3-7-13(9)23)15-14-10(8-19)4-2-6-12(14)22-17(16(15)20)18(21)24/h2-7,23H,20H2,1H3,(H2,21,24).
What are the key properties of 3-amino-5-cyano-4-(3-hydroxy-2-methylphenyl)quinoline-2-carboxamide?
3-amino-5-cyano-4-(3-hydroxy-2-methylphenyl)quinoline-2-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 2.47, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-cyano-4-(3-hydroxy-2-methylphenyl)quinoline-2-carboxamide is sourced from PubChem (CID 171645235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).