3-(dichloromethyl)-1H-quinolin-2-one

C10H7Cl2NO — CID 15208670

IUPAC3-(dichloromethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1C(Cl)Cl
InChIInChI=1S/C10H7Cl2NO/c11-9(12)7-5-6-3-1-2-4-8(6)13-10(7)14/h1-5,9H,(H,13,14)
InChIKeyGTRVUYCJSDFEDP-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.00
Rot. Bonds1

About 3-(dichloromethyl)-1H-quinolin-2-one

3-(dichloromethyl)-1H-quinolin-2-one (PubChem CID 15208670) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 3-(dichloromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(dichloromethyl)-1H-quinolin-2-one
PubChem CID15208670
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name3-(dichloromethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1C(Cl)Cl
InChIInChI=1S/C10H7Cl2NO/c11-9(12)7-5-6-3-1-2-4-8(6)13-10(7)14/h1-5,9H,(H,13,14)
InChIKeyGTRVUYCJSDFEDP-UHFFFAOYSA-N
XLogP3.00
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(1-aminobutan-2-yl)-1H-quinolin-2-one
CID 116985056
3-hydroxy-1H-quinolin-2-one
CID 162237175
3-(18F)fluoro-1H-quinolin-2-one
CID 158117840
3-hydroxy-1H-quinolin-2-one
CID 818159
copper bis(2-oxo-1H-quinolin-3-olate)
CID 67199859
3-nitroso-1H-quinolin-2-one
CID 22103970
3-(3-chlorophenyl)-1H-quinolin-2-one
CID 152763617
2-chloro-2-(1H-indol-2-yl)acetamide
CID 173051897
3-[1-hydroxy-3-(4-nitrophenyl)-3-oxopropyl]-1H-quinolin-2-one
CID 71538013
3-[(E)-2-phenylethenyl]-1H-quinolin-2-one
CID 12867118
2-oxo-1H-quinoline-3-carbonitrile;tribromoborane
CID 175799807
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028

Frequently Asked Questions

What is the IUPAC name of 3-(dichloromethyl)-1H-quinolin-2-one?
The IUPAC name of 3-(dichloromethyl)-1H-quinolin-2-one (CID 15208670) is 3-(dichloromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(dichloromethyl)-1H-quinolin-2-one?
The canonical SMILES for 3-(dichloromethyl)-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1C(Cl)Cl.
What is the InChIKey of 3-(dichloromethyl)-1H-quinolin-2-one?
The InChIKey is GTRVUYCJSDFEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c11-9(12)7-5-6-3-1-2-4-8(6)13-10(7)14/h1-5,9H,(H,13,14).
What are the key properties of 3-(dichloromethyl)-1H-quinolin-2-one?
3-(dichloromethyl)-1H-quinolin-2-one has a molecular weight of 228.08 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dichloromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 15208670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).