4-chloro-6-nitro-6H-quinolin-2-one

C9H5ClN2O3 — CID 76845380

IUPAC4-chloro-6-nitro-6H-quinolin-2-one
SMILESO=C1C=C(Cl)C2=CC([N+](=O)[O-])C=CC2=N1
InChIInChI=1S/C9H5ClN2O3/c10-7-4-9(13)11-8-2-1-5(12(14)15)3-6(7)8/h1-5H
InChIKeyMDZPTJZFNWRKCQ-UHFFFAOYSA-N
MW224.60 g/mol
LogP1.23
Rot. Bonds1

About 4-chloro-6-nitro-6H-quinolin-2-one

4-chloro-6-nitro-6H-quinolin-2-one (PubChem CID 76845380) has the molecular formula C9H5ClN2O3 and a molecular weight of 224.60 g/mol. Its IUPAC name is 4-chloro-6-nitro-6H-quinolin-2-one.

Molecular Properties

Compound Name4-chloro-6-nitro-6H-quinolin-2-one
PubChem CID76845380
Molecular FormulaC9H5ClN2O3
Molecular Weight224.60 g/mol
Exact Mass224.00
IUPAC Name4-chloro-6-nitro-6H-quinolin-2-one
SMILESO=C1C=C(Cl)C2=CC([N+](=O)[O-])C=CC2=N1
InChIInChI=1S/C9H5ClN2O3/c10-7-4-9(13)11-8-2-1-5(12(14)15)3-6(7)8/h1-5H
InChIKeyMDZPTJZFNWRKCQ-UHFFFAOYSA-N
XLogP1.23
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.60
LogP ≤ 51.23
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

6-nitro-4-(trifluoromethyl)-6H-quinolin-2-one
CID 73240359
4-chloro-3-nitro-3H-quinolin-2-one
CID 90811077
3-nitro-3H-quinolin-2-one
CID 45025452
6-nitro-6H-quinolin-2-one
CID 76845642
4-chloro-6-nitro-4aH-quinolin-2-one
CID 133661209

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-nitro-6H-quinolin-2-one?
The IUPAC name of 4-chloro-6-nitro-6H-quinolin-2-one (CID 76845380) is 4-chloro-6-nitro-6H-quinolin-2-one.
What is the SMILES notation for 4-chloro-6-nitro-6H-quinolin-2-one?
The canonical SMILES for 4-chloro-6-nitro-6H-quinolin-2-one is O=C1C=C(Cl)C2=CC([N+](=O)[O-])C=CC2=N1.
What is the InChIKey of 4-chloro-6-nitro-6H-quinolin-2-one?
The InChIKey is MDZPTJZFNWRKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O3/c10-7-4-9(13)11-8-2-1-5(12(14)15)3-6(7)8/h1-5H.
What are the key properties of 4-chloro-6-nitro-6H-quinolin-2-one?
4-chloro-6-nitro-6H-quinolin-2-one has a molecular weight of 224.60 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-nitro-6H-quinolin-2-one is sourced from PubChem (CID 76845380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).