4-amino-8-(2-methylphenyl)cinnoline-3-carboxamide

C16H14N4O — CID 59791624

IUPAC4-amino-8-(2-methylphenyl)cinnoline-3-carboxamide
SMILESCc1ccccc1-c1cccc2c(N)c(C(N)=O)nnc12
InChIInChI=1S/C16H14N4O/c1-9-5-2-3-6-10(9)11-7-4-8-12-13(17)15(16(18)21)20-19-14(11)12/h2-8H,1H3,(H2,17,19)(H2,18,21)
InChIKeyCBEDIZZGDREIFP-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.29
Rot. Bonds2

About 4-amino-8-(2-methylphenyl)cinnoline-3-carboxamide

4-amino-8-(2-methylphenyl)cinnoline-3-carboxamide (PubChem CID 59791624) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-amino-8-(2-methylphenyl)cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(2-methylphenyl)cinnoline-3-carboxamide
PubChem CID59791624
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name4-amino-8-(2-methylphenyl)cinnoline-3-carboxamide
SMILESCc1ccccc1-c1cccc2c(N)c(C(N)=O)nnc12
InChIInChI=1S/C16H14N4O/c1-9-5-2-3-6-10(9)11-7-4-8-12-13(17)15(16(18)21)20-19-14(11)12/h2-8H,1H3,(H2,17,19)(H2,18,21)
InChIKeyCBEDIZZGDREIFP-UHFFFAOYSA-N
XLogP2.29
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-8-(2-methylphenyl)cinnoline-3-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 4-amino-8-(2-methylphenyl)cinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(2-methylphenyl)cinnoline-3-carboxamide (CID 59791624) is 4-amino-8-(2-methylphenyl)cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(2-methylphenyl)cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(2-methylphenyl)cinnoline-3-carboxamide is Cc1ccccc1-c1cccc2c(N)c(C(N)=O)nnc12.
What is the InChIKey of 4-amino-8-(2-methylphenyl)cinnoline-3-carboxamide?
The InChIKey is CBEDIZZGDREIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-9-5-2-3-6-10(9)11-7-4-8-12-13(17)15(16(18)21)20-19-14(11)12/h2-8H,1H3,(H2,17,19)(H2,18,21).
What are the key properties of 4-amino-8-(2-methylphenyl)cinnoline-3-carboxamide?
4-amino-8-(2-methylphenyl)cinnoline-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(2-methylphenyl)cinnoline-3-carboxamide is sourced from PubChem (CID 59791624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).