2-chloro-3-(3-chloropropyl)-6-nitroquinoline

C12H10Cl2N2O2 — CID 71399899

IUPAC2-chloro-3-(3-chloropropyl)-6-nitroquinoline
SMILESO=[N+]([O-])c1ccc2nc(Cl)c(CCCCl)cc2c1
InChIInChI=1S/C12H10Cl2N2O2/c13-5-1-2-8-6-9-7-10(16(17)18)3-4-11(9)15-12(8)14/h3-4,6-7H,1-2,5H2
InChIKeyZTUZJCIVMMXUMP-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.97
Rot. Bonds4

About 2-chloro-3-(3-chloropropyl)-6-nitroquinoline

2-chloro-3-(3-chloropropyl)-6-nitroquinoline (PubChem CID 71399899) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 2-chloro-3-(3-chloropropyl)-6-nitroquinoline.

Molecular Properties

Compound Name2-chloro-3-(3-chloropropyl)-6-nitroquinoline
PubChem CID71399899
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name2-chloro-3-(3-chloropropyl)-6-nitroquinoline
SMILESO=[N+]([O-])c1ccc2nc(Cl)c(CCCCl)cc2c1
InChIInChI=1S/C12H10Cl2N2O2/c13-5-1-2-8-6-9-7-10(16(17)18)3-4-11(9)15-12(8)14/h3-4,6-7H,1-2,5H2
InChIKeyZTUZJCIVMMXUMP-UHFFFAOYSA-N
XLogP3.97
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-3-(3-chloropropyl)-6-nitroquinoline 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

2-(3-chloropropyl)-1-methylsulfanyl-4-nitrobenzene
CID 118831153
(2-chloro-6-nitroquinolin-3-yl) formate
CID 174977503
1-(3-chloropropyl)-2-(difluoromethyl)-4-nitrobenzene
CID 118842442
2-butyl-6-nitroquinazoline
CID 101015505
3-chloro-2-hexoxy-6-nitroquinoxaline
CID 86080246
2,4-dichloro-6-nitroquinazoline
CID 12703366
2,8-dichloro-3-(chloromethyl)-6-nitroquinoline
CID 63232149
4-(3-chloropropyl)-1-(2-methyl-4-nitrophenyl)triazole
CID 113374553
1-[(2-chloroquinolin-3-yl)methyl]-5-nitropyridin-2-one
CID 27041282
4-chloro-7-nitro-2-propylquinazoline
CID 106584339
2-(2-chloroethoxy)-6-nitro-3H-quinazolin-4-one
CID 158744386
3-(6-nitroquinolin-2-yl)sulfanylpropan-1-ol
CID 66112713

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3-chloropropyl)-6-nitroquinoline?
The IUPAC name of 2-chloro-3-(3-chloropropyl)-6-nitroquinoline (CID 71399899) is 2-chloro-3-(3-chloropropyl)-6-nitroquinoline.
What is the SMILES notation for 2-chloro-3-(3-chloropropyl)-6-nitroquinoline?
The canonical SMILES for 2-chloro-3-(3-chloropropyl)-6-nitroquinoline is O=[N+]([O-])c1ccc2nc(Cl)c(CCCCl)cc2c1.
What is the InChIKey of 2-chloro-3-(3-chloropropyl)-6-nitroquinoline?
The InChIKey is ZTUZJCIVMMXUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c13-5-1-2-8-6-9-7-10(16(17)18)3-4-11(9)15-12(8)14/h3-4,6-7H,1-2,5H2.
What are the key properties of 2-chloro-3-(3-chloropropyl)-6-nitroquinoline?
2-chloro-3-(3-chloropropyl)-6-nitroquinoline has a molecular weight of 285.13 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3-chloropropyl)-6-nitroquinoline is sourced from PubChem (CID 71399899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).