1-(3-methylbut-3-enyl)-7-prop-2-enoxy-3,4-dihydroquinolin-2-one

C17H21NO2 — CID 140970638

IUPAC1-(3-methylbut-3-enyl)-7-prop-2-enoxy-3,4-dihydroquinolin-2-one
SMILESC=CCOc1ccc2c(c1)N(CCC(=C)C)C(=O)CC2
InChIInChI=1S/C17H21NO2/c1-4-11-20-15-7-5-14-6-8-17(19)18(16(14)12-15)10-9-13(2)3/h4-5,7,12H,1-2,6,8-11H2,3H3
InChIKeyUKQUIHJWEGFAHO-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.50
Rot. Bonds6

About 1-(3-methylbut-3-enyl)-7-prop-2-enoxy-3,4-dihydroquinolin-2-one

1-(3-methylbut-3-enyl)-7-prop-2-enoxy-3,4-dihydroquinolin-2-one (PubChem CID 140970638) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(3-methylbut-3-enyl)-7-prop-2-enoxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(3-methylbut-3-enyl)-7-prop-2-enoxy-3,4-dihydroquinolin-2-one
PubChem CID140970638
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-(3-methylbut-3-enyl)-7-prop-2-enoxy-3,4-dihydroquinolin-2-one
SMILESC=CCOc1ccc2c(c1)N(CCC(=C)C)C(=O)CC2
InChIInChI=1S/C17H21NO2/c1-4-11-20-15-7-5-14-6-8-17(19)18(16(14)12-15)10-9-13(2)3/h4-5,7,12H,1-2,6,8-11H2,3H3
InChIKeyUKQUIHJWEGFAHO-UHFFFAOYSA-N
XLogP3.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(hydroxymethyl)-7-methoxy-3,4-dihydroquinolin-2-one
CID 135138136
2-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetaldehyde
CID 153165592
3-[[1-(3-methoxypropyl)-2-oxo-3,4-dihydroquinolin-7-yl]methoxy]-4-(4-prop-2-enoxyphenyl)piperidine-1-carboxylic acid
CID 68501130
tert-butyl 3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 116662624
ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid
CID 143541163
7-fluoro-1-(3-hydroxybutyl)-3,4-dihydroquinolin-2-one
CID 113399039
methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 28940061
ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid;propane
CID 143541157
6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydroquinolin-2-one
CID 169030898
4-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide
CID 43243934
1-ethyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;dihydrochloride
CID 12899515
4-[[2-oxo-7-(2-piperidin-1-ylethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoic acid
CID 175305736

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-3-enyl)-7-prop-2-enoxy-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(3-methylbut-3-enyl)-7-prop-2-enoxy-3,4-dihydroquinolin-2-one (CID 140970638) is 1-(3-methylbut-3-enyl)-7-prop-2-enoxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(3-methylbut-3-enyl)-7-prop-2-enoxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(3-methylbut-3-enyl)-7-prop-2-enoxy-3,4-dihydroquinolin-2-one is C=CCOc1ccc2c(c1)N(CCC(=C)C)C(=O)CC2.
What is the InChIKey of 1-(3-methylbut-3-enyl)-7-prop-2-enoxy-3,4-dihydroquinolin-2-one?
The InChIKey is UKQUIHJWEGFAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-11-20-15-7-5-14-6-8-17(19)18(16(14)12-15)10-9-13(2)3/h4-5,7,12H,1-2,6,8-11H2,3H3.
What are the key properties of 1-(3-methylbut-3-enyl)-7-prop-2-enoxy-3,4-dihydroquinolin-2-one?
1-(3-methylbut-3-enyl)-7-prop-2-enoxy-3,4-dihydroquinolin-2-one has a molecular weight of 271.36 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-3-enyl)-7-prop-2-enoxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 140970638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).