6-but-3-en-2-yl-5-hydroxy-8-methyl-3-propan-2-yl-1H-quinolin-2-one

C17H21NO2 — CID 23369853

IUPAC6-but-3-en-2-yl-5-hydroxy-8-methyl-3-propan-2-yl-1H-quinolin-2-one
SMILESC=CC(C)c1cc(C)c2[nH]c(=O)c(C(C)C)cc2c1O
InChIInChI=1S/C17H21NO2/c1-6-10(4)13-7-11(5)15-14(16(13)19)8-12(9(2)3)17(20)18-15/h6-10,19H,1H2,2-5H3,(H,18,20)
InChIKeyWPLYJNDQGUBNFT-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.96
Rot. Bonds3

About 6-but-3-en-2-yl-5-hydroxy-8-methyl-3-propan-2-yl-1H-quinolin-2-one

6-but-3-en-2-yl-5-hydroxy-8-methyl-3-propan-2-yl-1H-quinolin-2-one (PubChem CID 23369853) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-but-3-en-2-yl-5-hydroxy-8-methyl-3-propan-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-but-3-en-2-yl-5-hydroxy-8-methyl-3-propan-2-yl-1H-quinolin-2-one
PubChem CID23369853
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name6-but-3-en-2-yl-5-hydroxy-8-methyl-3-propan-2-yl-1H-quinolin-2-one
SMILESC=CC(C)c1cc(C)c2[nH]c(=O)c(C(C)C)cc2c1O
InChIInChI=1S/C17H21NO2/c1-6-10(4)13-7-11(5)15-14(16(13)19)8-12(9(2)3)17(20)18-15/h6-10,19H,1H2,2-5H3,(H,18,20)
InChIKeyWPLYJNDQGUBNFT-UHFFFAOYSA-N
XLogP3.96
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2(1H)-Quinolone, 7-hydroxy-4-methyl-
CID 5374442
5-hydroxyquinolin-2(1H)-one
CID 5382213
7-Hydroxycarbostyril
CID 10975787
N-(3-hydroxy-4-methylphenyl)butanamide
CID 837215
2-ethyl-N-(3-hydroxy-4-methylphenyl)butanamide
CID 837229
N-(3-hydroxy-4-methylphenyl)pentanamide
CID 1731866
2-(3-benzoylphenyl)-N-(3-hydroxy-4-methylphenyl)propanamide
CID 4047797
2-ethyl-N-(3-hydroxy-4-methylphenyl)hexanamide
CID 4987568
(2E,4E,6E,8E)-N-(3-hydroxy-4-methylphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 20627119
3-[(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoyl]-4-hydroxy-1H-quinolin-2-one
CID 72545558
3,4,6,8,8-pentamethyl-1H-pyrano[2,3-h]quinolin-2-one
CID 44375627
3-ethyl-4,7-dihydroxy-1H-quinolin-2-one
CID 134815930

Frequently Asked Questions

What is the IUPAC name of 6-but-3-en-2-yl-5-hydroxy-8-methyl-3-propan-2-yl-1H-quinolin-2-one?
The IUPAC name of 6-but-3-en-2-yl-5-hydroxy-8-methyl-3-propan-2-yl-1H-quinolin-2-one (CID 23369853) is 6-but-3-en-2-yl-5-hydroxy-8-methyl-3-propan-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 6-but-3-en-2-yl-5-hydroxy-8-methyl-3-propan-2-yl-1H-quinolin-2-one?
The canonical SMILES for 6-but-3-en-2-yl-5-hydroxy-8-methyl-3-propan-2-yl-1H-quinolin-2-one is C=CC(C)c1cc(C)c2[nH]c(=O)c(C(C)C)cc2c1O.
What is the InChIKey of 6-but-3-en-2-yl-5-hydroxy-8-methyl-3-propan-2-yl-1H-quinolin-2-one?
The InChIKey is WPLYJNDQGUBNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-6-10(4)13-7-11(5)15-14(16(13)19)8-12(9(2)3)17(20)18-15/h6-10,19H,1H2,2-5H3,(H,18,20).
What are the key properties of 6-but-3-en-2-yl-5-hydroxy-8-methyl-3-propan-2-yl-1H-quinolin-2-one?
6-but-3-en-2-yl-5-hydroxy-8-methyl-3-propan-2-yl-1H-quinolin-2-one has a molecular weight of 271.36 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-en-2-yl-5-hydroxy-8-methyl-3-propan-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 23369853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).