3-amino-4-(quinolin-5-ylamino)benzamide

C16H14N4O — CID 43448403

IUPAC3-amino-4-(quinolin-5-ylamino)benzamide
SMILESNC(=O)c1ccc(Nc2cccc3ncccc23)c(N)c1
InChIInChI=1S/C16H14N4O/c17-12-9-10(16(18)21)6-7-15(12)20-14-5-1-4-13-11(14)3-2-8-19-13/h1-9,20H,17H2,(H2,18,21)
InChIKeySXONAGJGLUTSRS-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.66
Rot. Bonds3

About 3-amino-4-(quinolin-5-ylamino)benzamide

3-amino-4-(quinolin-5-ylamino)benzamide (PubChem CID 43448403) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 3-amino-4-(quinolin-5-ylamino)benzamide.

Molecular Properties

Compound Name3-amino-4-(quinolin-5-ylamino)benzamide
PubChem CID43448403
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name3-amino-4-(quinolin-5-ylamino)benzamide
SMILESNC(=O)c1ccc(Nc2cccc3ncccc23)c(N)c1
InChIInChI=1S/C16H14N4O/c17-12-9-10(16(18)21)6-7-15(12)20-14-5-1-4-13-11(14)3-2-8-19-13/h1-9,20H,17H2,(H2,18,21)
InChIKeySXONAGJGLUTSRS-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 ≤ 500278.32
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(quinolin-5-ylamino)benzamide
CID 61306152
4-(quinolin-5-ylamino)benzoic acid
CID 62230854
2-chloro-1-N-quinolin-5-ylbenzene-1,4-diamine
CID 43148682
4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzoic acid
CID 19152886
3-amino-4-(3-fluoro-2-methylanilino)benzamide
CID 55031084
2-(quinolin-4-ylamino)benzamide;dihydrochloride
CID 143657459
N-[4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 19152855
3-(quinolin-5-ylamino)pyridine-4-carboxylic acid
CID 105062537
3-amino-4-(isoquinolin-5-ylamino)benzoic acid
CID 60989394
quinolin-5-ylthiourea
CID 1471601
dimethyl 5-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547710
3-amino-4-(2,3,4-trifluoroanilino)benzamide
CID 43448405

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(quinolin-5-ylamino)benzamide?
The IUPAC name of 3-amino-4-(quinolin-5-ylamino)benzamide (CID 43448403) is 3-amino-4-(quinolin-5-ylamino)benzamide.
What is the SMILES notation for 3-amino-4-(quinolin-5-ylamino)benzamide?
The canonical SMILES for 3-amino-4-(quinolin-5-ylamino)benzamide is NC(=O)c1ccc(Nc2cccc3ncccc23)c(N)c1.
What is the InChIKey of 3-amino-4-(quinolin-5-ylamino)benzamide?
The InChIKey is SXONAGJGLUTSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-12-9-10(16(18)21)6-7-15(12)20-14-5-1-4-13-11(14)3-2-8-19-13/h1-9,20H,17H2,(H2,18,21).
What are the key properties of 3-amino-4-(quinolin-5-ylamino)benzamide?
3-amino-4-(quinolin-5-ylamino)benzamide has a molecular weight of 278.32 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-4-(quinolin-5-ylamino)benzamide is sourced from PubChem (CID 43448403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).