1-methyl-3-(1-propoxypentyl)quinolin-2-one

C18H25NO2 — CID 166438997

IUPAC1-methyl-3-(1-propoxypentyl)quinolin-2-one
SMILESCCCCC(OCCC)c1cc2ccccc2n(C)c1=O
InChIInChI=1S/C18H25NO2/c1-4-6-11-17(21-12-5-2)15-13-14-9-7-8-10-16(14)19(3)18(15)20/h7-10,13,17H,4-6,11-12H2,1-3H3
InChIKeyISLQHVRNAUWGJZ-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.20
Rot. Bonds7

About 1-methyl-3-(1-propoxypentyl)quinolin-2-one

1-methyl-3-(1-propoxypentyl)quinolin-2-one (PubChem CID 166438997) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-methyl-3-(1-propoxypentyl)quinolin-2-one.

Molecular Properties

Compound Name1-methyl-3-(1-propoxypentyl)quinolin-2-one
PubChem CID166438997
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-methyl-3-(1-propoxypentyl)quinolin-2-one
SMILESCCCCC(OCCC)c1cc2ccccc2n(C)c1=O
InChIInChI=1S/C18H25NO2/c1-4-6-11-17(21-12-5-2)15-13-14-9-7-8-10-16(14)19(3)18(15)20/h7-10,13,17H,4-6,11-12H2,1-3H3
InChIKeyISLQHVRNAUWGJZ-UHFFFAOYSA-N
XLogP4.20
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-Methylschinifoline
CID 101652163
3-(2-Methylprop-2-enyl)-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
CID 135365373
Orijanone
CID 10778640
N-metilatanina
CID 15460082
(E)-3-[3-(Cyclohexanecarbonyl-methyl-amino)-phenyl]-acrylic acid methyl ester
CID 11012074
(2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
CID 664971
[(2S)-1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-methylbut-3-en-2-yl] acetate
CID 10663149
4-Methoxy-1-methyl-3-(3-methylbuta-1,3-dienyl)quinolin-2-one
CID 162951935
Ravenine
CID 21763830
3-(1,4-Dioxan-2-yl)-6-fluoro-1-methylquinolin-2-one
CID 166440180
Ethyl 1,2-dihydro-1-methyl-2-oxoquinoline-4-carboxylate
CID 615737
7-Methyl-2,5-dihydrooxepino[3,2-c]quinolin-6-one
CID 12194066

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-propoxypentyl)quinolin-2-one?
The IUPAC name of 1-methyl-3-(1-propoxypentyl)quinolin-2-one (CID 166438997) is 1-methyl-3-(1-propoxypentyl)quinolin-2-one.
What is the SMILES notation for 1-methyl-3-(1-propoxypentyl)quinolin-2-one?
The canonical SMILES for 1-methyl-3-(1-propoxypentyl)quinolin-2-one is CCCCC(OCCC)c1cc2ccccc2n(C)c1=O.
What is the InChIKey of 1-methyl-3-(1-propoxypentyl)quinolin-2-one?
The InChIKey is ISLQHVRNAUWGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-4-6-11-17(21-12-5-2)15-13-14-9-7-8-10-16(14)19(3)18(15)20/h7-10,13,17H,4-6,11-12H2,1-3H3.
What are the key properties of 1-methyl-3-(1-propoxypentyl)quinolin-2-one?
1-methyl-3-(1-propoxypentyl)quinolin-2-one has a molecular weight of 287.40 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-propoxypentyl)quinolin-2-one is sourced from PubChem (CID 166438997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).