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

C18H23NO3 — CID 503370

IUPAC4-cyclopentyloxy-6-methoxy-3-propyl-1H-quinolin-2-one
SMILESCCCc1c(OC2CCCC2)c2cc(OC)ccc2[nH]c1=O
InChIInChI=1S/C18H23NO3/c1-3-6-14-17(22-12-7-4-5-8-12)15-11-13(21-2)9-10-16(15)19-18(14)20/h9-12H,3-8H2,1-2H3,(H,19,20)
InChIKeyZJWNDBMQTIOPRT-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.81
Rot. Bonds5

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

4-cyclopentyloxy-6-methoxy-3-propyl-1H-quinolin-2-one (PubChem CID 503370) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-cyclopentyloxy-6-methoxy-3-propyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-cyclopentyloxy-6-methoxy-3-propyl-1H-quinolin-2-one
PubChem CID503370
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name4-cyclopentyloxy-6-methoxy-3-propyl-1H-quinolin-2-one
SMILESCCCc1c(OC2CCCC2)c2cc(OC)ccc2[nH]c1=O
InChIInChI=1S/C18H23NO3/c1-3-6-14-17(22-12-7-4-5-8-12)15-11-13(21-2)9-10-16(15)19-18(14)20/h9-12H,3-8H2,1-2H3,(H,19,20)
InChIKeyZJWNDBMQTIOPRT-UHFFFAOYSA-N
XLogP3.81
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethoxyquin
CID 3293
Cilostamide
CID 2753
Haplamine
CID 648601
N-(4-Methoxy-2-methylphenyl)-acetamide
CID 95082
2-Hydroxy-6-methoxy-4-methylquinoline
CID 220017
N-[4-(3-Methoxy-benzyl)-phenyl]-butyramide
CID 44264818
4-[(4-methoxyphenoxy)methyl]quinolin-2(1H)-one
CID 1508968
N-(Cinnamoyl)-4-methoxyaniline
CID 690965
N-(4-methoxyphenyl)cyclopentanecarboxamide
CID 531886
Edulitine
CID 826073
2-Hydroxy-6-methoxyquinoline
CID 228268
7-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
CID 4674196

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-6-methoxy-3-propyl-1H-quinolin-2-one?
The IUPAC name of 4-cyclopentyloxy-6-methoxy-3-propyl-1H-quinolin-2-one (CID 503370) is 4-cyclopentyloxy-6-methoxy-3-propyl-1H-quinolin-2-one.
What is the SMILES notation for 4-cyclopentyloxy-6-methoxy-3-propyl-1H-quinolin-2-one?
The canonical SMILES for 4-cyclopentyloxy-6-methoxy-3-propyl-1H-quinolin-2-one is CCCc1c(OC2CCCC2)c2cc(OC)ccc2[nH]c1=O.
What is the InChIKey of 4-cyclopentyloxy-6-methoxy-3-propyl-1H-quinolin-2-one?
The InChIKey is ZJWNDBMQTIOPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-3-6-14-17(22-12-7-4-5-8-12)15-11-13(21-2)9-10-16(15)19-18(14)20/h9-12H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 4-cyclopentyloxy-6-methoxy-3-propyl-1H-quinolin-2-one?
4-cyclopentyloxy-6-methoxy-3-propyl-1H-quinolin-2-one has a molecular weight of 301.39 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-6-methoxy-3-propyl-1H-quinolin-2-one is sourced from PubChem (CID 503370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).