4-amino-N-quinolin-5-ylbenzamide

C16H13N3O — CID 6490171

IUPAC4-amino-N-quinolin-5-ylbenzamide
SMILESNc1ccc(C(=O)Nc2cccc3ncccc23)cc1
InChIInChI=1S/C16H13N3O/c17-12-8-6-11(7-9-12)16(20)19-15-5-1-4-14-13(15)3-2-10-18-14/h1-10H,17H2,(H,19,20)
InChIKeyPPUHHAUWKRGWDU-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.07
Rot. Bonds2

About 4-amino-N-quinolin-5-ylbenzamide

4-amino-N-quinolin-5-ylbenzamide (PubChem CID 6490171) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-amino-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name4-amino-N-quinolin-5-ylbenzamide
PubChem CID6490171
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name4-amino-N-quinolin-5-ylbenzamide
SMILESNc1ccc(C(=O)Nc2cccc3ncccc23)cc1
InChIInChI=1S/C16H13N3O/c17-12-8-6-11(7-9-12)16(20)19-15-5-1-4-14-13(15)3-2-10-18-14/h1-10H,17H2,(H,19,20)
InChIKeyPPUHHAUWKRGWDU-UHFFFAOYSA-N
XLogP3.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-quinolin-5-ylbenzamide?
The IUPAC name of 4-amino-N-quinolin-5-ylbenzamide (CID 6490171) is 4-amino-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 4-amino-N-quinolin-5-ylbenzamide?
The canonical SMILES for 4-amino-N-quinolin-5-ylbenzamide is Nc1ccc(C(=O)Nc2cccc3ncccc23)cc1.
What is the InChIKey of 4-amino-N-quinolin-5-ylbenzamide?
The InChIKey is PPUHHAUWKRGWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-12-8-6-11(7-9-12)16(20)19-15-5-1-4-14-13(15)3-2-10-18-14/h1-10H,17H2,(H,19,20).
What are the key properties of 4-amino-N-quinolin-5-ylbenzamide?
4-amino-N-quinolin-5-ylbenzamide has a molecular weight of 263.30 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-quinolin-5-ylbenzamide is sourced from PubChem (CID 6490171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).