4-chloro-1-methyl-3-nitroquinolin-2-one

C10H7ClN2O3 — CID 701939

IUPAC4-chloro-1-methyl-3-nitroquinolin-2-one
SMILESCn1c(=O)c([N+](=O)[O-])c(Cl)c2ccccc21
InChIInChI=1S/C10H7ClN2O3/c1-12-7-5-3-2-4-6(7)8(11)9(10(12)14)13(15)16/h2-5H,1H3
InChIKeyKPDOVJBEKCRATD-UHFFFAOYSA-N
MW238.63 g/mol
LogP2.10
Rot. Bonds1

About 4-chloro-1-methyl-3-nitroquinolin-2-one

4-chloro-1-methyl-3-nitroquinolin-2-one (PubChem CID 701939) has the molecular formula C10H7ClN2O3 and a molecular weight of 238.63 g/mol. Its IUPAC name is 4-chloro-1-methyl-3-nitroquinolin-2-one.

Molecular Properties

Compound Name4-chloro-1-methyl-3-nitroquinolin-2-one
PubChem CID701939
Molecular FormulaC10H7ClN2O3
Molecular Weight238.63 g/mol
Exact Mass238.01
IUPAC Name4-chloro-1-methyl-3-nitroquinolin-2-one
SMILESCn1c(=O)c([N+](=O)[O-])c(Cl)c2ccccc21
InChIInChI=1S/C10H7ClN2O3/c1-12-7-5-3-2-4-6(7)8(11)9(10(12)14)13(15)16/h2-5H,1H3
InChIKeyKPDOVJBEKCRATD-UHFFFAOYSA-N
XLogP2.10
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-3-nitroquinolin-2-one?
The IUPAC name of 4-chloro-1-methyl-3-nitroquinolin-2-one (CID 701939) is 4-chloro-1-methyl-3-nitroquinolin-2-one.
What is the SMILES notation for 4-chloro-1-methyl-3-nitroquinolin-2-one?
The canonical SMILES for 4-chloro-1-methyl-3-nitroquinolin-2-one is Cn1c(=O)c([N+](=O)[O-])c(Cl)c2ccccc21.
What is the InChIKey of 4-chloro-1-methyl-3-nitroquinolin-2-one?
The InChIKey is KPDOVJBEKCRATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3/c1-12-7-5-3-2-4-6(7)8(11)9(10(12)14)13(15)16/h2-5H,1H3.
What are the key properties of 4-chloro-1-methyl-3-nitroquinolin-2-one?
4-chloro-1-methyl-3-nitroquinolin-2-one has a molecular weight of 238.63 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-3-nitroquinolin-2-one is sourced from PubChem (CID 701939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).