5-chloro-3-propan-2-yl-1H-quinolin-2-one

C12H12ClNO — CID 138581131

IUPAC5-chloro-3-propan-2-yl-1H-quinolin-2-one
SMILESCC(C)c1cc2c(Cl)cccc2[nH]c1=O
InChIInChI=1S/C12H12ClNO/c1-7(2)8-6-9-10(13)4-3-5-11(9)14-12(8)15/h3-7H,1-2H3,(H,14,15)
InChIKeyLUHLXHVTDNXCEZ-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.30
Rot. Bonds1

About 5-chloro-3-propan-2-yl-1H-quinolin-2-one

5-chloro-3-propan-2-yl-1H-quinolin-2-one (PubChem CID 138581131) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 5-chloro-3-propan-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name5-chloro-3-propan-2-yl-1H-quinolin-2-one
PubChem CID138581131
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name5-chloro-3-propan-2-yl-1H-quinolin-2-one
SMILESCC(C)c1cc2c(Cl)cccc2[nH]c1=O
InChIInChI=1S/C12H12ClNO/c1-7(2)8-6-9-10(13)4-3-5-11(9)14-12(8)15/h3-7H,1-2H3,(H,14,15)
InChIKeyLUHLXHVTDNXCEZ-UHFFFAOYSA-N
XLogP3.30
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-propan-2-yl-1H-quinolin-2-one?
The IUPAC name of 5-chloro-3-propan-2-yl-1H-quinolin-2-one (CID 138581131) is 5-chloro-3-propan-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 5-chloro-3-propan-2-yl-1H-quinolin-2-one?
The canonical SMILES for 5-chloro-3-propan-2-yl-1H-quinolin-2-one is CC(C)c1cc2c(Cl)cccc2[nH]c1=O.
What is the InChIKey of 5-chloro-3-propan-2-yl-1H-quinolin-2-one?
The InChIKey is LUHLXHVTDNXCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c1-7(2)8-6-9-10(13)4-3-5-11(9)14-12(8)15/h3-7H,1-2H3,(H,14,15).
What are the key properties of 5-chloro-3-propan-2-yl-1H-quinolin-2-one?
5-chloro-3-propan-2-yl-1H-quinolin-2-one has a molecular weight of 221.69 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-propan-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 138581131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).