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

C14H13ClN2O2 — CID 63352924

IUPAC8-(2-chloro-2-cyclopropylethyl)-5-nitroquinoline
SMILESO=[N+]([O-])c1ccc(CC(Cl)C2CC2)c2ncccc12
InChIInChI=1S/C14H13ClN2O2/c15-12(9-3-4-9)8-10-5-6-13(17(18)19)11-2-1-7-16-14(10)11/h1-2,5-7,9,12H,3-4,8H2
InChIKeyGITVPRBKVVJYRD-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.70
Rot. Bonds4

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

8-(2-chloro-2-cyclopropylethyl)-5-nitroquinoline (PubChem CID 63352924) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 8-(2-chloro-2-cyclopropylethyl)-5-nitroquinoline.

Molecular Properties

Compound Name8-(2-chloro-2-cyclopropylethyl)-5-nitroquinoline
PubChem CID63352924
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name8-(2-chloro-2-cyclopropylethyl)-5-nitroquinoline
SMILESO=[N+]([O-])c1ccc(CC(Cl)C2CC2)c2ncccc12
InChIInChI=1S/C14H13ClN2O2/c15-12(9-3-4-9)8-10-5-6-13(17(18)19)11-2-1-7-16-14(10)11/h1-2,5-7,9,12H,3-4,8H2
InChIKeyGITVPRBKVVJYRD-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'}

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Related Compounds

5-(2-chloro-2-cyclopropylethyl)-8-nitroquinoline
CID 55189970
8-(2-bromopropyl)-5-nitroquinoline
CID 63202831
8-(2-chloro-3,3-dimethylbutyl)-5-nitroquinoline
CID 63202485
2-(2-chloro-2-cyclopropylethyl)-3-nitropyridine
CID 63353206
1-cyclopropyl-2-(5-nitroquinolin-8-yl)ethanone
CID 63355452
N-(dicyclopropylmethyl)-5-nitroquinolin-8-amine
CID 60723743
N,3,3-trimethyl-1-(5-nitroquinolin-8-yl)butan-2-amine
CID 63198005
1-(2-chloro-2-cyclopropylethyl)-4-fluoro-2-nitrobenzene
CID 63352830
1-(5-nitroquinolin-8-yl)propan-2-one
CID 63199171
1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanol
CID 83165720
1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanamine
CID 83164334
N-ethyl-1-(5-nitroquinolin-8-yl)pentan-2-amine
CID 63198504

Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-2-cyclopropylethyl)-5-nitroquinoline?
The IUPAC name of 8-(2-chloro-2-cyclopropylethyl)-5-nitroquinoline (CID 63352924) is 8-(2-chloro-2-cyclopropylethyl)-5-nitroquinoline.
What is the SMILES notation for 8-(2-chloro-2-cyclopropylethyl)-5-nitroquinoline?
The canonical SMILES for 8-(2-chloro-2-cyclopropylethyl)-5-nitroquinoline is O=[N+]([O-])c1ccc(CC(Cl)C2CC2)c2ncccc12.
What is the InChIKey of 8-(2-chloro-2-cyclopropylethyl)-5-nitroquinoline?
The InChIKey is GITVPRBKVVJYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-12(9-3-4-9)8-10-5-6-13(17(18)19)11-2-1-7-16-14(10)11/h1-2,5-7,9,12H,3-4,8H2.
What are the key properties of 8-(2-chloro-2-cyclopropylethyl)-5-nitroquinoline?
8-(2-chloro-2-cyclopropylethyl)-5-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 8-(2-chloro-2-cyclopropylethyl)-5-nitroquinoline is sourced from PubChem (CID 63352924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).