3-cyclopentyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one

C27H24N2O — CID 118735055

IUPAC3-cyclopentyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2/C=C/c2ccccc2)n1C1CCCC1
InChIInChI=1S/C27H24N2O/c30-27-24-16-8-9-17-25(24)28-26(29(27)22-13-5-6-14-22)23-15-7-4-12-21(23)19-18-20-10-2-1-3-11-20/h1-4,7-12,15-19,22H,5-6,13-14H2/b19-18+
InChIKeyKECCCCUZDUPVLZ-VHEBQXMUSA-N
MW392.50 g/mol
LogP6.35
Rot. Bonds4

About 3-cyclopentyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one

3-cyclopentyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one (PubChem CID 118735055) has the molecular formula C27H24N2O and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-cyclopentyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one
PubChem CID118735055
Molecular FormulaC27H24N2O
Molecular Weight392.50 g/mol
Exact Mass392.19
IUPAC Name3-cyclopentyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2/C=C/c2ccccc2)n1C1CCCC1
InChIInChI=1S/C27H24N2O/c30-27-24-16-8-9-17-25(24)28-26(29(27)22-13-5-6-14-22)23-15-7-4-12-21(23)19-18-20-10-2-1-3-11-20/h1-4,7-12,15-19,22H,5-6,13-14H2/b19-18+
InChIKeyKECCCCUZDUPVLZ-VHEBQXMUSA-N
XLogP6.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one
CID 118735050
2-[2-[(E)-2-phenylethenyl]phenyl]-3-propylquinazolin-4-one
CID 118735048
3-[(4-methylphenyl)methyl]-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one
CID 118735060
2-(2-chlorophenyl)-3-cyclopentyl-7-fluoroquinazolin-4-one
CID 155671981
6-cyclododecylbenzo[d][2]benzazepine-5,7-dione
CID 4990028
3-cyclohexyl-2-(2-methylpropoxy)quinazolin-4-one
CID 915160
6-ethyl-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one
CID 135453196
3-cyclohexyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one
CID 1155402
2-chloro-3-piperidin-4-ylquinazolin-4-one
CID 117263485
3-cyclohexyl-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 38921957
3-cyclohexyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 1213864
3-[(2R,4S)-2-methylpiperidin-4-yl]-2-pyridin-2-ylquinazolin-4-one
CID 175840653

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one?
The IUPAC name of 3-cyclopentyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one (CID 118735055) is 3-cyclopentyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one.
What is the SMILES notation for 3-cyclopentyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one?
The canonical SMILES for 3-cyclopentyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2/C=C/c2ccccc2)n1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one?
The InChIKey is KECCCCUZDUPVLZ-VHEBQXMUSA-N. The full InChI is InChI=1S/C27H24N2O/c30-27-24-16-8-9-17-25(24)28-26(29(27)22-13-5-6-14-22)23-15-7-4-12-21(23)19-18-20-10-2-1-3-11-20/h1-4,7-12,15-19,22H,5-6,13-14H2/b19-18+.
What are the key properties of 3-cyclopentyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one?
3-cyclopentyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one has a molecular weight of 392.50 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one is sourced from PubChem (CID 118735055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).