8-chloro-N-(2-chloro-4-nitrophenyl)quinolin-4-amine

C15H9Cl2N3O2 — CID 43832587

IUPAC8-chloro-N-(2-chloro-4-nitrophenyl)quinolin-4-amine
SMILESO=[N+]([O-])c1ccc(Nc2ccnc3c(Cl)cccc23)c(Cl)c1
InChIInChI=1S/C15H9Cl2N3O2/c16-11-3-1-2-10-13(6-7-18-15(10)11)19-14-5-4-9(20(21)22)8-12(14)17/h1-8H,(H,18,19)
InChIKeyIJGXKWRVOYZSBE-UHFFFAOYSA-N
MW334.16 g/mol
LogP5.19
Rot. Bonds3

About 8-chloro-N-(2-chloro-4-nitrophenyl)quinolin-4-amine

8-chloro-N-(2-chloro-4-nitrophenyl)quinolin-4-amine (PubChem CID 43832587) has the molecular formula C15H9Cl2N3O2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 8-chloro-N-(2-chloro-4-nitrophenyl)quinolin-4-amine.

Molecular Properties

Compound Name8-chloro-N-(2-chloro-4-nitrophenyl)quinolin-4-amine
PubChem CID43832587
Molecular FormulaC15H9Cl2N3O2
Molecular Weight334.16 g/mol
Exact Mass333.01
IUPAC Name8-chloro-N-(2-chloro-4-nitrophenyl)quinolin-4-amine
SMILESO=[N+]([O-])c1ccc(Nc2ccnc3c(Cl)cccc23)c(Cl)c1
InChIInChI=1S/C15H9Cl2N3O2/c16-11-3-1-2-10-13(6-7-18-15(10)11)19-14-5-4-9(20(21)22)8-12(14)17/h1-8H,(H,18,19)
InChIKeyIJGXKWRVOYZSBE-UHFFFAOYSA-N
XLogP5.19
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.16
LogP ≤ 55.19
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

8-chloro-N-(2-methyl-4-nitrophenyl)quinolin-4-amine
CID 43832735
7-chloro-8-methyl-N-(2-methyl-4-nitrophenyl)quinolin-4-amine
CID 43860082
4-nitro-2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoyl chloride
CID 20520126
1-[2-[(8-chloroquinolin-4-yl)amino]phenyl]ethanone
CID 43832784
N-(3-chlorophenyl)-6-nitroquinolin-4-amine
CID 70281154
N,2-dichloro-4-nitroaniline
CID 57242965
8-chloro-N-(2-methoxyphenyl)quinolin-4-amine
CID 43833261
8-chloro-N-(4-methoxyphenyl)quinolin-4-amine
CID 43833259
4-chloro-8-fluoro-N-[(3-nitrophenyl)methyl]quinolin-7-amine
CID 133299263
2-chloro-4-nitro-N-pent-4-ynylaniline
CID 103704363
N-(2-chloro-4-nitrophenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine
CID 57406324
2-chloro-4-nitro-N-(2-pyridin-2-ylethyl)aniline
CID 9282895

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2-chloro-4-nitrophenyl)quinolin-4-amine?
The IUPAC name of 8-chloro-N-(2-chloro-4-nitrophenyl)quinolin-4-amine (CID 43832587) is 8-chloro-N-(2-chloro-4-nitrophenyl)quinolin-4-amine.
What is the SMILES notation for 8-chloro-N-(2-chloro-4-nitrophenyl)quinolin-4-amine?
The canonical SMILES for 8-chloro-N-(2-chloro-4-nitrophenyl)quinolin-4-amine is O=[N+]([O-])c1ccc(Nc2ccnc3c(Cl)cccc23)c(Cl)c1.
What is the InChIKey of 8-chloro-N-(2-chloro-4-nitrophenyl)quinolin-4-amine?
The InChIKey is IJGXKWRVOYZSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O2/c16-11-3-1-2-10-13(6-7-18-15(10)11)19-14-5-4-9(20(21)22)8-12(14)17/h1-8H,(H,18,19).
What are the key properties of 8-chloro-N-(2-chloro-4-nitrophenyl)quinolin-4-amine?
8-chloro-N-(2-chloro-4-nitrophenyl)quinolin-4-amine has a molecular weight of 334.16 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2-chloro-4-nitrophenyl)quinolin-4-amine is sourced from PubChem (CID 43832587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).