4-chloro-1-(2-methylpropyl)quinolin-2-one

C13H14ClNO — CID 129452941

IUPAC4-chloro-1-(2-methylpropyl)quinolin-2-one
SMILESCC(C)Cn1c(=O)cc(Cl)c2ccccc21
InChIInChI=1S/C13H14ClNO/c1-9(2)8-15-12-6-4-3-5-10(12)11(14)7-13(15)16/h3-7,9H,8H2,1-2H3
InChIKeyGNDIERJXCPCGTR-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.31
Rot. Bonds2

About 4-chloro-1-(2-methylpropyl)quinolin-2-one

4-chloro-1-(2-methylpropyl)quinolin-2-one (PubChem CID 129452941) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 4-chloro-1-(2-methylpropyl)quinolin-2-one.

Molecular Properties

Compound Name4-chloro-1-(2-methylpropyl)quinolin-2-one
PubChem CID129452941
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name4-chloro-1-(2-methylpropyl)quinolin-2-one
SMILESCC(C)Cn1c(=O)cc(Cl)c2ccccc21
InChIInChI=1S/C13H14ClNO/c1-9(2)8-15-12-6-4-3-5-10(12)11(14)7-13(15)16/h3-7,9H,8H2,1-2H3
InChIKeyGNDIERJXCPCGTR-UHFFFAOYSA-N
XLogP3.31
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-methylpropyl)quinolin-2-one?
The IUPAC name of 4-chloro-1-(2-methylpropyl)quinolin-2-one (CID 129452941) is 4-chloro-1-(2-methylpropyl)quinolin-2-one.
What is the SMILES notation for 4-chloro-1-(2-methylpropyl)quinolin-2-one?
The canonical SMILES for 4-chloro-1-(2-methylpropyl)quinolin-2-one is CC(C)Cn1c(=O)cc(Cl)c2ccccc21.
What is the InChIKey of 4-chloro-1-(2-methylpropyl)quinolin-2-one?
The InChIKey is GNDIERJXCPCGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-9(2)8-15-12-6-4-3-5-10(12)11(14)7-13(15)16/h3-7,9H,8H2,1-2H3.
What are the key properties of 4-chloro-1-(2-methylpropyl)quinolin-2-one?
4-chloro-1-(2-methylpropyl)quinolin-2-one has a molecular weight of 235.71 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-methylpropyl)quinolin-2-one is sourced from PubChem (CID 129452941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).