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

C16H12ClN3O2 — CID 43832735

IUPAC8-chloro-N-(2-methyl-4-nitrophenyl)quinolin-4-amine
SMILESCc1cc([N+](=O)[O-])ccc1Nc1ccnc2c(Cl)cccc12
InChIInChI=1S/C16H12ClN3O2/c1-10-9-11(20(21)22)5-6-14(10)19-15-7-8-18-16-12(15)3-2-4-13(16)17/h2-9H,1H3,(H,18,19)
InChIKeyLLXHHGHWPBRQKD-UHFFFAOYSA-N
MW313.74 g/mol
LogP4.85
Rot. Bonds3

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

8-chloro-N-(2-methyl-4-nitrophenyl)quinolin-4-amine (PubChem CID 43832735) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 8-chloro-N-(2-methyl-4-nitrophenyl)quinolin-4-amine.

Molecular Properties

Compound Name8-chloro-N-(2-methyl-4-nitrophenyl)quinolin-4-amine
PubChem CID43832735
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name8-chloro-N-(2-methyl-4-nitrophenyl)quinolin-4-amine
SMILESCc1cc([N+](=O)[O-])ccc1Nc1ccnc2c(Cl)cccc12
InChIInChI=1S/C16H12ClN3O2/c1-10-9-11(20(21)22)5-6-14(10)19-15-7-8-18-16-12(15)3-2-4-13(16)17/h2-9H,1H3,(H,18,19)
InChIKeyLLXHHGHWPBRQKD-UHFFFAOYSA-N
XLogP4.85
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 54.85
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'}

Analyze 8-chloro-N-(2-methyl-4-nitrophenyl)quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-chloro-N-(2-chloro-4-nitrophenyl)quinolin-4-amine
CID 43832587
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
N-[(2,6-dichlorophenyl)diazenyl]-2-methyl-4-nitroaniline
CID 3089882
8-chloro-N-(2-methoxyphenyl)quinolin-4-amine
CID 43833261
8-chloro-N-(4-methoxyphenyl)quinolin-4-amine
CID 43833259
3-chloro-N-(2,4-dinitrophenyl)-2-methylaniline
CID 2838871
N-chloro-2-methyl-4-nitroaniline
CID 134879883
2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-5-nitrophenyl)acetamide
CID 8716261
N-[(3-chlorophenyl)methyl]-2-methyl-4-nitroaniline
CID 43425365
N-(3-chlorophenyl)-6-nitroquinolin-4-amine
CID 70281154
(2-chloro-4-nitrophenyl) 8-methylquinoline-5-sulfonate
CID 52565310

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2-methyl-4-nitrophenyl)quinolin-4-amine?
The IUPAC name of 8-chloro-N-(2-methyl-4-nitrophenyl)quinolin-4-amine (CID 43832735) is 8-chloro-N-(2-methyl-4-nitrophenyl)quinolin-4-amine.
What is the SMILES notation for 8-chloro-N-(2-methyl-4-nitrophenyl)quinolin-4-amine?
The canonical SMILES for 8-chloro-N-(2-methyl-4-nitrophenyl)quinolin-4-amine is Cc1cc([N+](=O)[O-])ccc1Nc1ccnc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-N-(2-methyl-4-nitrophenyl)quinolin-4-amine?
The InChIKey is LLXHHGHWPBRQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c1-10-9-11(20(21)22)5-6-14(10)19-15-7-8-18-16-12(15)3-2-4-13(16)17/h2-9H,1H3,(H,18,19).
What are the key properties of 8-chloro-N-(2-methyl-4-nitrophenyl)quinolin-4-amine?
8-chloro-N-(2-methyl-4-nitrophenyl)quinolin-4-amine has a molecular weight of 313.74 g/mol, XLogP of 4.85, 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-methyl-4-nitrophenyl)quinolin-4-amine is sourced from PubChem (CID 43832735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).