1-(cyclohexylmethyl)-6-prop-2-enoxy-7-prop-2-enyl-3,4-dihydroquinolin-2-one

C22H29NO2 — CID 19068047

IUPAC1-(cyclohexylmethyl)-6-prop-2-enoxy-7-prop-2-enyl-3,4-dihydroquinolin-2-one
SMILESC=CCOc1cc2c(cc1CC=C)N(CC1CCCCC1)C(=O)CC2
InChIInChI=1S/C22H29NO2/c1-3-8-19-14-20-18(15-21(19)25-13-4-2)11-12-22(24)23(20)16-17-9-6-5-7-10-17/h3-4,14-15,17H,1-2,5-13,16H2
InChIKeyIOOAWYHJNKLRBX-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.84
Rot. Bonds7

About 1-(cyclohexylmethyl)-6-prop-2-enoxy-7-prop-2-enyl-3,4-dihydroquinolin-2-one

1-(cyclohexylmethyl)-6-prop-2-enoxy-7-prop-2-enyl-3,4-dihydroquinolin-2-one (PubChem CID 19068047) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-6-prop-2-enoxy-7-prop-2-enyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-6-prop-2-enoxy-7-prop-2-enyl-3,4-dihydroquinolin-2-one
PubChem CID19068047
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name1-(cyclohexylmethyl)-6-prop-2-enoxy-7-prop-2-enyl-3,4-dihydroquinolin-2-one
SMILESC=CCOc1cc2c(cc1CC=C)N(CC1CCCCC1)C(=O)CC2
InChIInChI=1S/C22H29NO2/c1-3-8-19-14-20-18(15-21(19)25-13-4-2)11-12-22(24)23(20)16-17-9-6-5-7-10-17/h3-4,14-15,17H,1-2,5-13,16H2
InChIKeyIOOAWYHJNKLRBX-UHFFFAOYSA-N
XLogP4.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(cyclohexylmethyl)-6-prop-2-enoxy-7-prop-2-enyl-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

CP-728663
CID 9888347
N-(2-hydroxybutyl)-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylpentanamide
CID 44367386
6-(3-phenylpropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 72191362
1-Benzyl-6-(3-morpholin-4-ylpropoxy)-3,4-dihydroquinolin-2-one
CID 86301464
1-Benzyl-6-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one
CID 86301465
1-Benzyl-6-(5-morpholin-4-ylpentoxy)-3,4-dihydroquinolin-2-one
CID 86301466
1-Benzyl-6-(6-morpholin-4-ylhexoxy)-3,4-dihydroquinolin-2-one
CID 86301467
6-(3-Morpholin-4-ylpropoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one
CID 86301468
6-(4-Morpholin-4-ylbutoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one
CID 86301469
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 4148227
1-(3,4-dihydro-2H-quinolin-1-yl)-4-(2,3-dimethylphenoxy)butan-1-one
CID 1575147
N-Cyclohexyl-N-methyl-4-((2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)oxy)butanamide
CID 13200334

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-6-prop-2-enoxy-7-prop-2-enyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(cyclohexylmethyl)-6-prop-2-enoxy-7-prop-2-enyl-3,4-dihydroquinolin-2-one (CID 19068047) is 1-(cyclohexylmethyl)-6-prop-2-enoxy-7-prop-2-enyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-6-prop-2-enoxy-7-prop-2-enyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(cyclohexylmethyl)-6-prop-2-enoxy-7-prop-2-enyl-3,4-dihydroquinolin-2-one is C=CCOc1cc2c(cc1CC=C)N(CC1CCCCC1)C(=O)CC2.
What is the InChIKey of 1-(cyclohexylmethyl)-6-prop-2-enoxy-7-prop-2-enyl-3,4-dihydroquinolin-2-one?
The InChIKey is IOOAWYHJNKLRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-3-8-19-14-20-18(15-21(19)25-13-4-2)11-12-22(24)23(20)16-17-9-6-5-7-10-17/h3-4,14-15,17H,1-2,5-13,16H2.
What are the key properties of 1-(cyclohexylmethyl)-6-prop-2-enoxy-7-prop-2-enyl-3,4-dihydroquinolin-2-one?
1-(cyclohexylmethyl)-6-prop-2-enoxy-7-prop-2-enyl-3,4-dihydroquinolin-2-one has a molecular weight of 339.48 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-6-prop-2-enoxy-7-prop-2-enyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 19068047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).