6-[(E)-1-imidazol-1-ylpent-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one

C17H19N3O — CID 70373556

IUPAC6-[(E)-1-imidazol-1-ylpent-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC/C=C(/Cn1ccnc1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H19N3O/c1-2-3-15(11-20-9-8-18-12-20)13-4-6-16-14(10-13)5-7-17(21)19-16/h3-4,6,8-10,12H,2,5,7,11H2,1H3,(H,19,21)/b15-3-
InChIKeyYCHKOTLLEDUXPI-CQPUUCJISA-N
MW281.36 g/mol
LogP3.26
Rot. Bonds4

About 6-[(E)-1-imidazol-1-ylpent-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one

6-[(E)-1-imidazol-1-ylpent-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 70373556) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-[(E)-1-imidazol-1-ylpent-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(E)-1-imidazol-1-ylpent-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID70373556
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name6-[(E)-1-imidazol-1-ylpent-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC/C=C(/Cn1ccnc1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H19N3O/c1-2-3-15(11-20-9-8-18-12-20)13-4-6-16-14(10-13)5-7-17(21)19-16/h3-4,6,8-10,12H,2,5,7,11H2,1H3,(H,19,21)/b15-3-
InChIKeyYCHKOTLLEDUXPI-CQPUUCJISA-N
XLogP3.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(E)-1-imidazol-1-ylpent-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-(2-imidazol-1-yl-1-phenylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 14373275
N-(3-imidazol-1-ylpropyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 78852316
6-(1-imidazol-1-ylpentyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854657
6-(2-hydroxy-1-imidazol-1-yl-5-phenylpentan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 19854594
N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797974
6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 110800015
6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 70502328
6-[(Z)-3-phenyl-1-pyridin-3-ylprop-1-en-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 19854582
6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 82984767
N-(1-methylpyrazol-3-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18132198
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one
CID 116833046

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-1-imidazol-1-ylpent-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(E)-1-imidazol-1-ylpent-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one (CID 70373556) is 6-[(E)-1-imidazol-1-ylpent-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(E)-1-imidazol-1-ylpent-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(E)-1-imidazol-1-ylpent-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one is CC/C=C(/Cn1ccnc1)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[(E)-1-imidazol-1-ylpent-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YCHKOTLLEDUXPI-CQPUUCJISA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-3-15(11-20-9-8-18-12-20)13-4-6-16-14(10-13)5-7-17(21)19-16/h3-4,6,8-10,12H,2,5,7,11H2,1H3,(H,19,21)/b15-3-.
What are the key properties of 6-[(E)-1-imidazol-1-ylpent-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[(E)-1-imidazol-1-ylpent-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-1-imidazol-1-ylpent-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 70373556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).