6-chloro-4-cyclopentyloxy-3-propyl-1H-quinolin-2-one

C17H20ClNO2 — CID 503365

IUPAC6-chloro-4-cyclopentyloxy-3-propyl-1H-quinolin-2-one
SMILESCCCc1c(OC2CCCC2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C17H20ClNO2/c1-2-5-13-16(21-12-6-3-4-7-12)14-10-11(18)8-9-15(14)19-17(13)20/h8-10,12H,2-7H2,1H3,(H,19,20)
InChIKeyYQUCZBOYLWUICR-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.46
Rot. Bonds4

About 6-chloro-4-cyclopentyloxy-3-propyl-1H-quinolin-2-one

6-chloro-4-cyclopentyloxy-3-propyl-1H-quinolin-2-one (PubChem CID 503365) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-chloro-4-cyclopentyloxy-3-propyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-cyclopentyloxy-3-propyl-1H-quinolin-2-one
PubChem CID503365
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name6-chloro-4-cyclopentyloxy-3-propyl-1H-quinolin-2-one
SMILESCCCc1c(OC2CCCC2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C17H20ClNO2/c1-2-5-13-16(21-12-6-3-4-7-12)14-10-11(18)8-9-15(14)19-17(13)20/h8-10,12H,2-7H2,1H3,(H,19,20)
InChIKeyYQUCZBOYLWUICR-UHFFFAOYSA-N
XLogP4.46
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.46
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-propyl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-cyclopentyloxy-3-propyl-1H-quinolin-2-one (CID 503365) is 6-chloro-4-cyclopentyloxy-3-propyl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-cyclopentyloxy-3-propyl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-cyclopentyloxy-3-propyl-1H-quinolin-2-one is CCCc1c(OC2CCCC2)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 6-chloro-4-cyclopentyloxy-3-propyl-1H-quinolin-2-one?
The InChIKey is YQUCZBOYLWUICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-2-5-13-16(21-12-6-3-4-7-12)14-10-11(18)8-9-15(14)19-17(13)20/h8-10,12H,2-7H2,1H3,(H,19,20).
What are the key properties of 6-chloro-4-cyclopentyloxy-3-propyl-1H-quinolin-2-one?
6-chloro-4-cyclopentyloxy-3-propyl-1H-quinolin-2-one has a molecular weight of 305.81 g/mol, XLogP of 4.46, 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-propyl-1H-quinolin-2-one is sourced from PubChem (CID 503365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).