8-ethyl-3-(3-oxobutyl)-1H-quinolin-2-one

C15H17NO2 — CID 84630854

IUPAC8-ethyl-3-(3-oxobutyl)-1H-quinolin-2-one
SMILESCCc1cccc2cc(CCC(C)=O)c(=O)[nH]c12
InChIInChI=1S/C15H17NO2/c1-3-11-5-4-6-12-9-13(8-7-10(2)17)15(18)16-14(11)12/h4-6,9H,3,7-8H2,1-2H3,(H,16,18)
InChIKeyVHRNMXXPIVLAMN-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.61
Rot. Bonds4

About 8-ethyl-3-(3-oxobutyl)-1H-quinolin-2-one

8-ethyl-3-(3-oxobutyl)-1H-quinolin-2-one (PubChem CID 84630854) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 8-ethyl-3-(3-oxobutyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name8-ethyl-3-(3-oxobutyl)-1H-quinolin-2-one
PubChem CID84630854
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name8-ethyl-3-(3-oxobutyl)-1H-quinolin-2-one
SMILESCCc1cccc2cc(CCC(C)=O)c(=O)[nH]c12
InChIInChI=1S/C15H17NO2/c1-3-11-5-4-6-12-9-13(8-7-10(2)17)15(18)16-14(11)12/h4-6,9H,3,7-8H2,1-2H3,(H,16,18)
InChIKeyVHRNMXXPIVLAMN-UHFFFAOYSA-N
XLogP2.61
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butyl-8-hydroxy-1H-quinolin-2-one
CID 160626954
8-methoxy-6-methyl-3-(3-oxobutyl)-1H-quinolin-2-one
CID 84637704
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
8-ethyl-3-methoxy-1H-quinolin-2-one
CID 119083523
N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331121
8-ethyl-3-phenyl-1H-quinolin-2-one
CID 39346058
N-(2-ethyl-6-methylphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110355986
N-cyclopropyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331054
8-ethyl-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one
CID 18525062
(7-ethyl-1H-indol-2-yl)methanol
CID 84817992
N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331083
8-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110331072

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-(3-oxobutyl)-1H-quinolin-2-one?
The IUPAC name of 8-ethyl-3-(3-oxobutyl)-1H-quinolin-2-one (CID 84630854) is 8-ethyl-3-(3-oxobutyl)-1H-quinolin-2-one.
What is the SMILES notation for 8-ethyl-3-(3-oxobutyl)-1H-quinolin-2-one?
The canonical SMILES for 8-ethyl-3-(3-oxobutyl)-1H-quinolin-2-one is CCc1cccc2cc(CCC(C)=O)c(=O)[nH]c12.
What is the InChIKey of 8-ethyl-3-(3-oxobutyl)-1H-quinolin-2-one?
The InChIKey is VHRNMXXPIVLAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-11-5-4-6-12-9-13(8-7-10(2)17)15(18)16-14(11)12/h4-6,9H,3,7-8H2,1-2H3,(H,16,18).
What are the key properties of 8-ethyl-3-(3-oxobutyl)-1H-quinolin-2-one?
8-ethyl-3-(3-oxobutyl)-1H-quinolin-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-(3-oxobutyl)-1H-quinolin-2-one is sourced from PubChem (CID 84630854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).