4-chloro-3-nitroquinoline;ethane

C11H11ClN2O2 — CID 90799881

IUPAC4-chloro-3-nitroquinoline;ethane
SMILESCC.O=[N+]([O-])c1cnc2ccccc2c1Cl
InChIInChI=1S/C9H5ClN2O2.C2H6/c10-9-6-3-1-2-4-7(6)11-5-8(9)12(13)14;1-2/h1-5H;1-2H3
InChIKeyHXCZSVXAHYESGD-UHFFFAOYSA-N
MW238.67 g/mol
LogP3.82
Rot. Bonds1

About 4-chloro-3-nitroquinoline;ethane

4-chloro-3-nitroquinoline;ethane (PubChem CID 90799881) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 4-chloro-3-nitroquinoline;ethane.

Molecular Properties

Compound Name4-chloro-3-nitroquinoline;ethane
PubChem CID90799881
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name4-chloro-3-nitroquinoline;ethane
SMILESCC.O=[N+]([O-])c1cnc2ccccc2c1Cl
InChIInChI=1S/C9H5ClN2O2.C2H6/c10-9-6-3-1-2-4-7(6)11-5-8(9)12(13)14;1-2/h1-5H;1-2H3
InChIKeyHXCZSVXAHYESGD-UHFFFAOYSA-N
XLogP3.82
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

tert-butyl N-(2-amino-3-phosphanyloxypropyl)carbamate;4-chloro-3-nitroquinoline;ethane
CID 91318728
4-chloro-6-methyl-3-nitro-1,7-naphthyridine
CID 167583843
4-chloro-6-ethoxy-3-nitroquinoline
CID 102614031
4-(3-chloro-2-methylpropyl)sulfanyl-3-nitroquinoline
CID 103964740
3-nitro-4-(trifluoromethoxy)quinoline
CID 19034873
3-nitroquinoline-4-carboxamide
CID 19034747
2-methyl-1-(3-nitroquinolin-4-yl)propan-1-amine
CID 174742802
N-(3-nitroquinolin-4-yl)methanesulfinamide
CID 164871225
4-chloro-8-methyl-3-nitro-1,7-naphthyridine
CID 103416471
4-azido-3-nitroquinoline
CID 112704025
N-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine
CID 106329770
2-[(3-nitroquinolin-4-yl)amino]propan-1-ol
CID 14700381

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitroquinoline;ethane?
The IUPAC name of 4-chloro-3-nitroquinoline;ethane (CID 90799881) is 4-chloro-3-nitroquinoline;ethane.
What is the SMILES notation for 4-chloro-3-nitroquinoline;ethane?
The canonical SMILES for 4-chloro-3-nitroquinoline;ethane is CC.O=[N+]([O-])c1cnc2ccccc2c1Cl.
What is the InChIKey of 4-chloro-3-nitroquinoline;ethane?
The InChIKey is HXCZSVXAHYESGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O2.C2H6/c10-9-6-3-1-2-4-7(6)11-5-8(9)12(13)14;1-2/h1-5H;1-2H3.
What are the key properties of 4-chloro-3-nitroquinoline;ethane?
4-chloro-3-nitroquinoline;ethane has a molecular weight of 238.67 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitroquinoline;ethane is sourced from PubChem (CID 90799881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).