N-(3-chlorophenyl)-6-nitroquinolin-4-amine

C15H10ClN3O2 — CID 70281154

IUPACN-(3-chlorophenyl)-6-nitroquinolin-4-amine
SMILESO=[N+]([O-])c1ccc2nccc(Nc3cccc(Cl)c3)c2c1
InChIInChI=1S/C15H10ClN3O2/c16-10-2-1-3-11(8-10)18-15-6-7-17-14-5-4-12(19(20)21)9-13(14)15/h1-9H,(H,17,18)
InChIKeyFNBVAEYEGXVQFT-UHFFFAOYSA-N
MW299.72 g/mol
LogP4.54
Rot. Bonds3

About N-(3-chlorophenyl)-6-nitroquinolin-4-amine

N-(3-chlorophenyl)-6-nitroquinolin-4-amine (PubChem CID 70281154) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-nitroquinolin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-nitroquinolin-4-amine
PubChem CID70281154
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC NameN-(3-chlorophenyl)-6-nitroquinolin-4-amine
SMILESO=[N+]([O-])c1ccc2nccc(Nc3cccc(Cl)c3)c2c1
InChIInChI=1S/C15H10ClN3O2/c16-10-2-1-3-11(8-10)18-15-6-7-17-14-5-4-12(19(20)21)9-13(14)15/h1-9H,(H,17,18)
InChIKeyFNBVAEYEGXVQFT-UHFFFAOYSA-N
XLogP4.54
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromophenyl)-6-nitroquinolin-4-amine
CID 46197130
4-(3-nitroanilino)quinolin-7-ol
CID 137246319
4-N-(3-chlorophenyl)-5-nitro-6-N-(3-nitrophenyl)pyrimidine-4,6-diamine
CID 22532492
4-[(1-methylpyridin-1-ium-4-yl)amino]-N-[4-[(6-nitroquinolin-4-yl)amino]phenyl]benzamide
CID 67199735
6,8-difluoro-N-(3-nitrophenyl)quinolin-4-amine
CID 50878017
4-(3-chloroanilino)-7-methoxyquinolin-6-ol
CID 25000015
8-chloro-N-(2-chloro-4-nitrophenyl)quinolin-4-amine
CID 43832587
N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinolin-4-amine
CID 161322524
3-chloro-N-(3-chlorophenyl)-2-nitroaniline
CID 113459239
3-[(6-nitroquinazolin-4-yl)amino]phenol
CID 7200288
3-[(7-chloroquinolin-4-yl)amino]phenol
CID 15654508
2-chloro-N-(3-nitrophenyl)pyrimidin-4-amine
CID 46844785

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-nitroquinolin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-6-nitroquinolin-4-amine (CID 70281154) is N-(3-chlorophenyl)-6-nitroquinolin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-nitroquinolin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-nitroquinolin-4-amine is O=[N+]([O-])c1ccc2nccc(Nc3cccc(Cl)c3)c2c1.
What is the InChIKey of N-(3-chlorophenyl)-6-nitroquinolin-4-amine?
The InChIKey is FNBVAEYEGXVQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-10-2-1-3-11(8-10)18-15-6-7-17-14-5-4-12(19(20)21)9-13(14)15/h1-9H,(H,17,18).
What are the key properties of N-(3-chlorophenyl)-6-nitroquinolin-4-amine?
N-(3-chlorophenyl)-6-nitroquinolin-4-amine has a molecular weight of 299.72 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-nitroquinolin-4-amine is sourced from PubChem (CID 70281154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).