3-amino-2-(quinolin-8-ylamino)benzamide

C16H14N4O — CID 115933843

IUPAC3-amino-2-(quinolin-8-ylamino)benzamide
SMILESNC(=O)c1cccc(N)c1Nc1cccc2cccnc12
InChIInChI=1S/C16H14N4O/c17-12-7-2-6-11(16(18)21)15(12)20-13-8-1-4-10-5-3-9-19-14(10)13/h1-9,20H,17H2,(H2,18,21)
InChIKeyNHMNMDBYNPWERI-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.66
Rot. Bonds3

About 3-amino-2-(quinolin-8-ylamino)benzamide

3-amino-2-(quinolin-8-ylamino)benzamide (PubChem CID 115933843) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-amino-2-(quinolin-8-ylamino)benzamide.

Molecular Properties

Compound Name3-amino-2-(quinolin-8-ylamino)benzamide
PubChem CID115933843
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name3-amino-2-(quinolin-8-ylamino)benzamide
SMILESNC(=O)c1cccc(N)c1Nc1cccc2cccnc12
InChIInChI=1S/C16H14N4O/c17-12-7-2-6-11(16(18)21)15(12)20-13-8-1-4-10-5-3-9-19-14(10)13/h1-9,20H,17H2,(H2,18,21)
InChIKeyNHMNMDBYNPWERI-UHFFFAOYSA-N
XLogP2.66
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-2-(quinolin-8-ylamino)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-2-(naphthalen-1-ylamino)benzamide
CID 115933816
2-methylbenzamide;quinolin-8-amine
CID 174903342
1-[2-amino-4-(quinolin-8-ylamino)phenyl]ethanone
CID 104528278
3-(quinolin-8-ylamino)pyridine-4-carbothioamide
CID 114288039
3-amino-2-[2-(dimethylamino)anilino]benzamide
CID 106760653
3-nitro-2-(quinolin-8-ylamino)benzoic acid
CID 11001355
6-methyl-2-N-quinolin-8-ylpyridine-2,5-diamine
CID 79021158
5-amino-6-(quinolin-8-ylamino)pyridine-3-carboxylic acid
CID 81447920
N-[6-(quinolin-8-ylamino)pyridazin-3-yl]cyclobutanecarboxamide
CID 113050407
2-amino-3-bromo-N-quinolin-8-ylbenzamide
CID 110451344
4-methyl-2-(quinolin-8-ylamino)benzenecarbothioamide
CID 62309061
N-quinolin-8-ylhydroxylamine
CID 22011433

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(quinolin-8-ylamino)benzamide?
The IUPAC name of 3-amino-2-(quinolin-8-ylamino)benzamide (CID 115933843) is 3-amino-2-(quinolin-8-ylamino)benzamide.
What is the SMILES notation for 3-amino-2-(quinolin-8-ylamino)benzamide?
The canonical SMILES for 3-amino-2-(quinolin-8-ylamino)benzamide is NC(=O)c1cccc(N)c1Nc1cccc2cccnc12.
What is the InChIKey of 3-amino-2-(quinolin-8-ylamino)benzamide?
The InChIKey is NHMNMDBYNPWERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-12-7-2-6-11(16(18)21)15(12)20-13-8-1-4-10-5-3-9-19-14(10)13/h1-9,20H,17H2,(H2,18,21).
What are the key properties of 3-amino-2-(quinolin-8-ylamino)benzamide?
3-amino-2-(quinolin-8-ylamino)benzamide has a molecular weight of 278.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(quinolin-8-ylamino)benzamide is sourced from PubChem (CID 115933843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).