6-amino-4-cyano-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide

C18H14N4O2 — CID 171645243

IUPAC6-amino-4-cyano-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide
SMILESCc1c(O)cccc1-c1c(N)c(C(N)=O)cc2nccc(C#N)c12
InChIInChI=1S/C18H14N4O2/c1-9-11(3-2-4-14(9)23)16-15-10(8-19)5-6-22-13(15)7-12(17(16)20)18(21)24/h2-7,23H,20H2,1H3,(H2,21,24)
InChIKeyDYBTWKWFHLUUIM-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.47
Rot. Bonds2

About 6-amino-4-cyano-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide

6-amino-4-cyano-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide (PubChem CID 171645243) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 6-amino-4-cyano-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide.

Molecular Properties

Compound Name6-amino-4-cyano-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide
PubChem CID171645243
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name6-amino-4-cyano-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide
SMILESCc1c(O)cccc1-c1c(N)c(C(N)=O)cc2nccc(C#N)c12
InChIInChI=1S/C18H14N4O2/c1-9-11(3-2-4-14(9)23)16-15-10(8-19)5-6-22-13(15)7-12(17(16)20)18(21)24/h2-7,23H,20H2,1H3,(H2,21,24)
InChIKeyDYBTWKWFHLUUIM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-4-cyano-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-cyano-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide?
The IUPAC name of 6-amino-4-cyano-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide (CID 171645243) is 6-amino-4-cyano-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide.
What is the SMILES notation for 6-amino-4-cyano-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide?
The canonical SMILES for 6-amino-4-cyano-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide is Cc1c(O)cccc1-c1c(N)c(C(N)=O)cc2nccc(C#N)c12.
What is the InChIKey of 6-amino-4-cyano-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide?
The InChIKey is DYBTWKWFHLUUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-9-11(3-2-4-14(9)23)16-15-10(8-19)5-6-22-13(15)7-12(17(16)20)18(21)24/h2-7,23H,20H2,1H3,(H2,21,24).
What are the key properties of 6-amino-4-cyano-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide?
6-amino-4-cyano-5-(3-hydroxy-2-methylphenyl)quinoline-7-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 6-amino-4-cyano-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide is sourced from PubChem (CID 171645243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).