6-chloro-4-cyclopentyloxy-3-(2-methylpropyl)-1H-quinolin-2-one

C18H22ClNO2 — CID 503375

IUPAC6-chloro-4-cyclopentyloxy-3-(2-methylpropyl)-1H-quinolin-2-one
SMILESCC(C)Cc1c(OC2CCCC2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C18H22ClNO2/c1-11(2)9-15-17(22-13-5-3-4-6-13)14-10-12(19)7-8-16(14)20-18(15)21/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,20,21)
InChIKeyWOEJSIJPIGJIGX-UHFFFAOYSA-N
MW319.83 g/mol
LogP4.70
Rot. Bonds4

About 6-chloro-4-cyclopentyloxy-3-(2-methylpropyl)-1H-quinolin-2-one

6-chloro-4-cyclopentyloxy-3-(2-methylpropyl)-1H-quinolin-2-one (PubChem CID 503375) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 6-chloro-4-cyclopentyloxy-3-(2-methylpropyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-cyclopentyloxy-3-(2-methylpropyl)-1H-quinolin-2-one
PubChem CID503375
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name6-chloro-4-cyclopentyloxy-3-(2-methylpropyl)-1H-quinolin-2-one
SMILESCC(C)Cc1c(OC2CCCC2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C18H22ClNO2/c1-11(2)9-15-17(22-13-5-3-4-6-13)14-10-12(19)7-8-16(14)20-18(15)21/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,20,21)
InChIKeyWOEJSIJPIGJIGX-UHFFFAOYSA-N
XLogP4.70
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-cyclopentyloxy-3-(2-methylpropyl)-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-cyclopentyloxy-3-(2-methylpropyl)-1H-quinolin-2-one (CID 503375) is 6-chloro-4-cyclopentyloxy-3-(2-methylpropyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-cyclopentyloxy-3-(2-methylpropyl)-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-cyclopentyloxy-3-(2-methylpropyl)-1H-quinolin-2-one is CC(C)Cc1c(OC2CCCC2)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 6-chloro-4-cyclopentyloxy-3-(2-methylpropyl)-1H-quinolin-2-one?
The InChIKey is WOEJSIJPIGJIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2/c1-11(2)9-15-17(22-13-5-3-4-6-13)14-10-12(19)7-8-16(14)20-18(15)21/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,20,21).
What are the key properties of 6-chloro-4-cyclopentyloxy-3-(2-methylpropyl)-1H-quinolin-2-one?
6-chloro-4-cyclopentyloxy-3-(2-methylpropyl)-1H-quinolin-2-one has a molecular weight of 319.83 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-cyclopentyloxy-3-(2-methylpropyl)-1H-quinolin-2-one is sourced from PubChem (CID 503375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).