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

C17H21NO2 — CID 503368

IUPAC4-cyclopentyloxy-3-propyl-1H-quinolin-2-one
SMILESCCCc1c(OC2CCCC2)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H21NO2/c1-2-7-14-16(20-12-8-3-4-9-12)13-10-5-6-11-15(13)18-17(14)19/h5-6,10-12H,2-4,7-9H2,1H3,(H,18,19)
InChIKeyAIYDCRWOULZFMS-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.80
Rot. Bonds4

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

4-cyclopentyloxy-3-propyl-1H-quinolin-2-one (PubChem CID 503368) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-cyclopentyloxy-3-propyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-cyclopentyloxy-3-propyl-1H-quinolin-2-one
PubChem CID503368
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-cyclopentyloxy-3-propyl-1H-quinolin-2-one
SMILESCCCc1c(OC2CCCC2)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H21NO2/c1-2-7-14-16(20-12-8-3-4-9-12)13-10-5-6-11-15(13)18-17(14)19/h5-6,10-12H,2-4,7-9H2,1H3,(H,18,19)
InChIKeyAIYDCRWOULZFMS-UHFFFAOYSA-N
XLogP3.80
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Chloro-4-(cyclohexyloxy)-3-propylquinolin-2(1H)-one
CID 448724
4-((Cyclopropylethynyl)oxy)-6-fluoro-3-isopropylquinolin-2(1H)-one
CID 448725
6-Chloro-4-(cyclohexyloxy)-3-isopropylquinolin-2(1H)-one
CID 448729
Flindersine
CID 68230
4-methoxy-N-methyl-2-quinolone
CID 182073
Bucharaine
CID 5338262
4-Hydroxy-3-methylquinolin-2(1H)-one
CID 54678416
4-Methoxy-3-(3-methyl-1,3-butadienyl)-2(1H)-quinolinone
CID 131752802
4-(cyclopentoxy)-2-oxo-3-propyl-1H-quinoline-6-carbonitrile
CID 503372
4-(2-cyclopropylethynoxy)-6-fluoro-3-propyl-1H-quinolin-2-one
CID 3013151
N-Methylflindersine
CID 72819
4-(3-Methylbut-2-enoxy)quinolin-2-ol
CID 21770009

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-3-propyl-1H-quinolin-2-one?
The IUPAC name of 4-cyclopentyloxy-3-propyl-1H-quinolin-2-one (CID 503368) is 4-cyclopentyloxy-3-propyl-1H-quinolin-2-one.
What is the SMILES notation for 4-cyclopentyloxy-3-propyl-1H-quinolin-2-one?
The canonical SMILES for 4-cyclopentyloxy-3-propyl-1H-quinolin-2-one is CCCc1c(OC2CCCC2)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-cyclopentyloxy-3-propyl-1H-quinolin-2-one?
The InChIKey is AIYDCRWOULZFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-7-14-16(20-12-8-3-4-9-12)13-10-5-6-11-15(13)18-17(14)19/h5-6,10-12H,2-4,7-9H2,1H3,(H,18,19).
What are the key properties of 4-cyclopentyloxy-3-propyl-1H-quinolin-2-one?
4-cyclopentyloxy-3-propyl-1H-quinolin-2-one has a molecular weight of 271.36 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-3-propyl-1H-quinolin-2-one is sourced from PubChem (CID 503368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).