3-amino-N-(6-chloroquinolin-8-yl)benzamide

C16H12ClN3O — CID 43698580

IUPAC3-amino-N-(6-chloroquinolin-8-yl)benzamide
SMILESNc1cccc(C(=O)Nc2cc(Cl)cc3cccnc23)c1
InChIInChI=1S/C16H12ClN3O/c17-12-7-10-4-2-6-19-15(10)14(9-12)20-16(21)11-3-1-5-13(18)8-11/h1-9H,18H2,(H,20,21)
InChIKeyDNSODLQSGPLTDE-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.72
Rot. Bonds2

About 3-amino-N-(6-chloroquinolin-8-yl)benzamide

3-amino-N-(6-chloroquinolin-8-yl)benzamide (PubChem CID 43698580) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 3-amino-N-(6-chloroquinolin-8-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-(6-chloroquinolin-8-yl)benzamide
PubChem CID43698580
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name3-amino-N-(6-chloroquinolin-8-yl)benzamide
SMILESNc1cccc(C(=O)Nc2cc(Cl)cc3cccnc23)c1
InChIInChI=1S/C16H12ClN3O/c17-12-7-10-4-2-6-19-15(10)14(9-12)20-16(21)11-3-1-5-13(18)8-11/h1-9H,18H2,(H,20,21)
InChIKeyDNSODLQSGPLTDE-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

3-amino-N-(6-chloroquinolin-8-yl)pyridine-2-carboxamide
CID 104741160
N-(6-chloroquinolin-8-yl)-2-fluorobenzamide
CID 39975947
N-(6-chloroquinolin-8-yl)furan-2-carboxamide
CID 60729929
2-chloro-N-(6-chloroquinolin-8-yl)propanamide
CID 43696479
(6-chloroquinolin-8-yl)hydrazine
CID 138505780
N-(6-chloroquinolin-8-yl)-1,4-dimethylpyrazole-3-carboxamide
CID 166321071
3-amino-N-(4-chloro-2-fluorophenyl)benzamide
CID 43708013
N-(5-chloroquinolin-8-yl)-3-hydroxybenzamide
CID 115577672
N-(6-chloroquinolin-8-yl)-5-hydroxypentanamide
CID 79199292
2-amino-N-(6-chloroquinolin-8-yl)pentanamide
CID 43698605
2-amino-N-(6-chloroquinolin-8-yl)-3-methoxypropanamide
CID 81082757
1-(aminomethyl)-N-(6-chloroquinolin-8-yl)cyclopentane-1-carboxamide
CID 115434790

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-chloroquinolin-8-yl)benzamide?
The IUPAC name of 3-amino-N-(6-chloroquinolin-8-yl)benzamide (CID 43698580) is 3-amino-N-(6-chloroquinolin-8-yl)benzamide.
What is the SMILES notation for 3-amino-N-(6-chloroquinolin-8-yl)benzamide?
The canonical SMILES for 3-amino-N-(6-chloroquinolin-8-yl)benzamide is Nc1cccc(C(=O)Nc2cc(Cl)cc3cccnc23)c1.
What is the InChIKey of 3-amino-N-(6-chloroquinolin-8-yl)benzamide?
The InChIKey is DNSODLQSGPLTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-12-7-10-4-2-6-19-15(10)14(9-12)20-16(21)11-3-1-5-13(18)8-11/h1-9H,18H2,(H,20,21).
What are the key properties of 3-amino-N-(6-chloroquinolin-8-yl)benzamide?
3-amino-N-(6-chloroquinolin-8-yl)benzamide 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 3-amino-N-(6-chloroquinolin-8-yl)benzamide is sourced from PubChem (CID 43698580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).