2-amino-4-chloro-N-quinolin-3-ylbenzamide

C16H12ClN3O — CID 61111494

IUPAC2-amino-4-chloro-N-quinolin-3-ylbenzamide
SMILESNc1cc(Cl)ccc1C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C16H12ClN3O/c17-11-5-6-13(14(18)8-11)16(21)20-12-7-10-3-1-2-4-15(10)19-9-12/h1-9H,18H2,(H,20,21)
InChIKeyGONNQJRNFWYADL-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.72
Rot. Bonds2

About 2-amino-4-chloro-N-quinolin-3-ylbenzamide

2-amino-4-chloro-N-quinolin-3-ylbenzamide (PubChem CID 61111494) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 2-amino-4-chloro-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-quinolin-3-ylbenzamide
PubChem CID61111494
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name2-amino-4-chloro-N-quinolin-3-ylbenzamide
SMILESNc1cc(Cl)ccc1C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C16H12ClN3O/c17-11-5-6-13(14(18)8-11)16(21)20-12-7-10-3-1-2-4-15(10)19-9-12/h1-9H,18H2,(H,20,21)
InChIKeyGONNQJRNFWYADL-UHFFFAOYSA-N
XLogP3.72
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-chloro-N-quinolin-3-ylbenzamide
CID 115540223
3-chloro-N-quinolin-3-ylbenzamide
CID 3284385
2-chloro-5-hydroxy-N-quinolin-3-ylbenzamide
CID 106501765
3-amino-4-fluoro-N-quinolin-3-ylbenzamide
CID 61111864
3-amino-2-methyl-N-quinolin-3-ylbenzamide
CID 61111679
6-amino-N-quinolin-3-ylpyridine-2-carboxamide
CID 62805980
2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide
CID 114052632
6-amino-3-chloro-N-quinolin-3-ylpyridine-2-carboxamide
CID 62805982
5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide
CID 115330770
2,4,5-trimethoxy-N-quinolin-3-ylbenzamide
CID 18146468
3-amino-N-quinolin-3-yl-1H-pyrazole-5-carboxamide
CID 64523845
6-chloro-N-quinolin-3-ylpyridine-3-carboxamide
CID 29330391

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-quinolin-3-ylbenzamide?
The IUPAC name of 2-amino-4-chloro-N-quinolin-3-ylbenzamide (CID 61111494) is 2-amino-4-chloro-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 2-amino-4-chloro-N-quinolin-3-ylbenzamide?
The canonical SMILES for 2-amino-4-chloro-N-quinolin-3-ylbenzamide is Nc1cc(Cl)ccc1C(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of 2-amino-4-chloro-N-quinolin-3-ylbenzamide?
The InChIKey is GONNQJRNFWYADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-11-5-6-13(14(18)8-11)16(21)20-12-7-10-3-1-2-4-15(10)19-9-12/h1-9H,18H2,(H,20,21).
What are the key properties of 2-amino-4-chloro-N-quinolin-3-ylbenzamide?
2-amino-4-chloro-N-quinolin-3-ylbenzamide has a molecular weight of 297.75 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 61111494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).