5-(2-chloro-2-cyclopropylethyl)-8-nitroquinoline

C14H13ClN2O2 — CID 55189970

IUPAC5-(2-chloro-2-cyclopropylethyl)-8-nitroquinoline
SMILESO=[N+]([O-])c1ccc(CC(Cl)C2CC2)c2cccnc12
InChIInChI=1S/C14H13ClN2O2/c15-12(9-3-4-9)8-10-5-6-13(17(18)19)14-11(10)2-1-7-16-14/h1-2,5-7,9,12H,3-4,8H2
InChIKeyAUYSYUUODYEYOW-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.70
Rot. Bonds4

About 5-(2-chloro-2-cyclopropylethyl)-8-nitroquinoline

5-(2-chloro-2-cyclopropylethyl)-8-nitroquinoline (PubChem CID 55189970) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 5-(2-chloro-2-cyclopropylethyl)-8-nitroquinoline.

Molecular Properties

Compound Name5-(2-chloro-2-cyclopropylethyl)-8-nitroquinoline
PubChem CID55189970
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name5-(2-chloro-2-cyclopropylethyl)-8-nitroquinoline
SMILESO=[N+]([O-])c1ccc(CC(Cl)C2CC2)c2cccnc12
InChIInChI=1S/C14H13ClN2O2/c15-12(9-3-4-9)8-10-5-6-13(17(18)19)14-11(10)2-1-7-16-14/h1-2,5-7,9,12H,3-4,8H2
InChIKeyAUYSYUUODYEYOW-UHFFFAOYSA-N
XLogP3.70
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2-chloro-2-cyclopropylethyl)-8-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

8-(2-chloro-2-cyclopropylethyl)-5-nitroquinoline
CID 63352924
5-(2-chlorobutyl)-8-nitroquinoline
CID 63202545
2-(2-chloro-2-cyclopropylethyl)-3-nitropyridine
CID 63353206
8-(2-chloro-3,3-dimethylbutyl)-5-nitroquinoline
CID 63202485
1-(2-chloro-2-cyclopropylethyl)-4-fluoro-2-nitrobenzene
CID 63352830
8-(2-bromopropyl)-5-nitroquinoline
CID 63202831
N-(cyclohexylmethyl)-8-nitroquinolin-5-amine
CID 43386314
1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanol
CID 83165720
1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanamine
CID 83164334
2-(2-chloro-2-cyclopropylethyl)-6-methyl-3-nitropyridine
CID 81137768
N-(dicyclopropylmethyl)-5-nitroquinolin-8-amine
CID 60723743
1-cyclopropyl-2-(5-nitroquinolin-8-yl)ethanone
CID 63355452

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-2-cyclopropylethyl)-8-nitroquinoline?
The IUPAC name of 5-(2-chloro-2-cyclopropylethyl)-8-nitroquinoline (CID 55189970) is 5-(2-chloro-2-cyclopropylethyl)-8-nitroquinoline.
What is the SMILES notation for 5-(2-chloro-2-cyclopropylethyl)-8-nitroquinoline?
The canonical SMILES for 5-(2-chloro-2-cyclopropylethyl)-8-nitroquinoline is O=[N+]([O-])c1ccc(CC(Cl)C2CC2)c2cccnc12.
What is the InChIKey of 5-(2-chloro-2-cyclopropylethyl)-8-nitroquinoline?
The InChIKey is AUYSYUUODYEYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-12(9-3-4-9)8-10-5-6-13(17(18)19)14-11(10)2-1-7-16-14/h1-2,5-7,9,12H,3-4,8H2.
What are the key properties of 5-(2-chloro-2-cyclopropylethyl)-8-nitroquinoline?
5-(2-chloro-2-cyclopropylethyl)-8-nitroquinoline has a molecular weight of 276.72 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-2-cyclopropylethyl)-8-nitroquinoline is sourced from PubChem (CID 55189970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).