2-(2-fluorophenyl)-3-prop-2-ynyl-1,2-dihydroquinazolin-4-one

C17H13FN2O — CID 155928172

IUPAC2-(2-fluorophenyl)-3-prop-2-ynyl-1,2-dihydroquinazolin-4-one
SMILESC#CCN1C(=O)c2ccccc2NC1c1ccccc1F
InChIInChI=1S/C17H13FN2O/c1-2-11-20-16(12-7-3-5-9-14(12)18)19-15-10-6-4-8-13(15)17(20)21/h1,3-10,16,19H,11H2
InChIKeyVCPCHIHXOAJYEU-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.03
Rot. Bonds2

About 2-(2-fluorophenyl)-3-prop-2-ynyl-1,2-dihydroquinazolin-4-one

2-(2-fluorophenyl)-3-prop-2-ynyl-1,2-dihydroquinazolin-4-one (PubChem CID 155928172) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-prop-2-ynyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-prop-2-ynyl-1,2-dihydroquinazolin-4-one
PubChem CID155928172
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name2-(2-fluorophenyl)-3-prop-2-ynyl-1,2-dihydroquinazolin-4-one
SMILESC#CCN1C(=O)c2ccccc2NC1c1ccccc1F
InChIInChI=1S/C17H13FN2O/c1-2-11-20-16(12-7-3-5-9-14(12)18)19-15-10-6-4-8-13(15)17(20)21/h1,3-10,16,19H,11H2
InChIKeyVCPCHIHXOAJYEU-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 950967
2-(4-phenylthiophen-2-yl)-3-prop-2-ynyl-1,2-dihydroquinazolin-4-one
CID 71890865
3-ethyl-2-(2-fluoro-4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 138057442
(2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 40709314
(2R)-2-naphthalen-1-yl-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 2414793
2-(2-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 11218695
3-oxido-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 4744964
3-ethyl-2-(5-fluoro-2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 166215044
3-benzyl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779556
3-(3-methoxypropyl)-2-(2-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 54778638
3-benzyl-2-[2-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780305
(2R)-3-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 7027439

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-prop-2-ynyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-3-prop-2-ynyl-1,2-dihydroquinazolin-4-one (CID 155928172) is 2-(2-fluorophenyl)-3-prop-2-ynyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-3-prop-2-ynyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-3-prop-2-ynyl-1,2-dihydroquinazolin-4-one is C#CCN1C(=O)c2ccccc2NC1c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-3-prop-2-ynyl-1,2-dihydroquinazolin-4-one?
The InChIKey is VCPCHIHXOAJYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c1-2-11-20-16(12-7-3-5-9-14(12)18)19-15-10-6-4-8-13(15)17(20)21/h1,3-10,16,19H,11H2.
What are the key properties of 2-(2-fluorophenyl)-3-prop-2-ynyl-1,2-dihydroquinazolin-4-one?
2-(2-fluorophenyl)-3-prop-2-ynyl-1,2-dihydroquinazolin-4-one has a molecular weight of 280.30 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-prop-2-ynyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 155928172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).