N-(4-amino-3-chlorophenyl)quinoline-8-carboxamide

C16H12ClN3O — CID 82863638

IUPACN-(4-amino-3-chlorophenyl)quinoline-8-carboxamide
SMILESNc1ccc(NC(=O)c2cccc3cccnc23)cc1Cl
InChIInChI=1S/C16H12ClN3O/c17-13-9-11(6-7-14(13)18)20-16(21)12-5-1-3-10-4-2-8-19-15(10)12/h1-9H,18H2,(H,20,21)
InChIKeyUZINKZSRAJYAOI-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.72
Rot. Bonds2

About N-(4-amino-3-chlorophenyl)quinoline-8-carboxamide

N-(4-amino-3-chlorophenyl)quinoline-8-carboxamide (PubChem CID 82863638) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is N-(4-amino-3-chlorophenyl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-chlorophenyl)quinoline-8-carboxamide
PubChem CID82863638
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC NameN-(4-amino-3-chlorophenyl)quinoline-8-carboxamide
SMILESNc1ccc(NC(=O)c2cccc3cccnc23)cc1Cl
InChIInChI=1S/C16H12ClN3O/c17-13-9-11(6-7-14(13)18)20-16(21)12-5-1-3-10-4-2-8-19-15(10)12/h1-9H,18H2,(H,20,21)
InChIKeyUZINKZSRAJYAOI-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

N-(3-acetamidophenyl)quinoline-8-carboxamide
CID 9206616
N-(3-methylphenyl)quinoline-8-carboxamide
CID 30267656
N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]quinoline-8-carboxamide
CID 75369007
N-(4-amino-3-chlorophenyl)-2,3-dimethylbenzamide
CID 82861424
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
N-[3-(bromomethyl)phenyl]quinoline-8-carboxamide
CID 114307205
N-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide
CID 82861951
N-(4-amino-3-chlorophenyl)-2-bromo-3-fluorobenzamide
CID 82861957
N-(3-amino-4-chlorophenyl)quinoline-5-carboxamide
CID 62851104
(3-amino-4-chlorophenyl)-quinolin-8-ylmethanone
CID 116552296
2-amino-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 62155044
N-(2-phenylpyrimidin-5-yl)quinoline-8-carboxamide
CID 134009435

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-chlorophenyl)quinoline-8-carboxamide?
The IUPAC name of N-(4-amino-3-chlorophenyl)quinoline-8-carboxamide (CID 82863638) is N-(4-amino-3-chlorophenyl)quinoline-8-carboxamide.
What is the SMILES notation for N-(4-amino-3-chlorophenyl)quinoline-8-carboxamide?
The canonical SMILES for N-(4-amino-3-chlorophenyl)quinoline-8-carboxamide is Nc1ccc(NC(=O)c2cccc3cccnc23)cc1Cl.
What is the InChIKey of N-(4-amino-3-chlorophenyl)quinoline-8-carboxamide?
The InChIKey is UZINKZSRAJYAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-13-9-11(6-7-14(13)18)20-16(21)12-5-1-3-10-4-2-8-19-15(10)12/h1-9H,18H2,(H,20,21).
What are the key properties of N-(4-amino-3-chlorophenyl)quinoline-8-carboxamide?
N-(4-amino-3-chlorophenyl)quinoline-8-carboxamide 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 N-(4-amino-3-chlorophenyl)quinoline-8-carboxamide is sourced from PubChem (CID 82863638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).