3-[(1S)-1-cyclopentylprop-2-enyl]quinazolin-4-one

C16H18N2O — CID 134970155

IUPAC3-[(1S)-1-cyclopentylprop-2-enyl]quinazolin-4-one
SMILESC=C[C@@H](C1CCCC1)n1cnc2ccccc2c1=O
InChIInChI=1S/C16H18N2O/c1-2-15(12-7-3-4-8-12)18-11-17-14-10-6-5-9-13(14)16(18)19/h2,5-6,9-12,15H,1,3-4,7-8H2/t15-/m0/s1
InChIKeyCYEFHAWPBMJWJB-HNNXBMFYSA-N
MW254.33 g/mol
LogP3.31
Rot. Bonds3

About 3-[(1S)-1-cyclopentylprop-2-enyl]quinazolin-4-one

3-[(1S)-1-cyclopentylprop-2-enyl]quinazolin-4-one (PubChem CID 134970155) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[(1S)-1-cyclopentylprop-2-enyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(1S)-1-cyclopentylprop-2-enyl]quinazolin-4-one
PubChem CID134970155
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-[(1S)-1-cyclopentylprop-2-enyl]quinazolin-4-one
SMILESC=C[C@@H](C1CCCC1)n1cnc2ccccc2c1=O
InChIInChI=1S/C16H18N2O/c1-2-15(12-7-3-4-8-12)18-11-17-14-10-6-5-9-13(14)16(18)19/h2,5-6,9-12,15H,1,3-4,7-8H2/t15-/m0/s1
InChIKeyCYEFHAWPBMJWJB-HNNXBMFYSA-N
XLogP3.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4(1H)-Quinazolinone
CID 135408753
7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one
CID 78144
Proquinazid
CID 11057771
Deoxyvasicinone
CID 68261
2-Propoxy-3-propyl-4(3H)-quinazolinone
CID 11770728
3-Methyl-4(3H)-quinazolinone
CID 17088
6H-Pyrimido(2,1-b)quinazolin-6-one, 1,2,3,4-tetrahydro-
CID 209367
Glycorine
CID 18992
2-(4-Oxo-3,4-dihydroquinazolin-3-yl)acetic acid
CID 729359
3-phenyl-3H-quinazolin-4-one
CID 785275
5-Fluoroquinazolin-4-ol
CID 135495930
2,3-Dihydro-5H-oxazolo[2,3-b]quinazolin-5-one
CID 726944

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-cyclopentylprop-2-enyl]quinazolin-4-one?
The IUPAC name of 3-[(1S)-1-cyclopentylprop-2-enyl]quinazolin-4-one (CID 134970155) is 3-[(1S)-1-cyclopentylprop-2-enyl]quinazolin-4-one.
What is the SMILES notation for 3-[(1S)-1-cyclopentylprop-2-enyl]quinazolin-4-one?
The canonical SMILES for 3-[(1S)-1-cyclopentylprop-2-enyl]quinazolin-4-one is C=C[C@@H](C1CCCC1)n1cnc2ccccc2c1=O.
What is the InChIKey of 3-[(1S)-1-cyclopentylprop-2-enyl]quinazolin-4-one?
The InChIKey is CYEFHAWPBMJWJB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-15(12-7-3-4-8-12)18-11-17-14-10-6-5-9-13(14)16(18)19/h2,5-6,9-12,15H,1,3-4,7-8H2/t15-/m0/s1.
What are the key properties of 3-[(1S)-1-cyclopentylprop-2-enyl]quinazolin-4-one?
3-[(1S)-1-cyclopentylprop-2-enyl]quinazolin-4-one has a molecular weight of 254.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-cyclopentylprop-2-enyl]quinazolin-4-one is sourced from PubChem (CID 134970155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).