3-prop-2-ynylquinazolin-4-one

C11H8N2O — CID 603496

IUPAC3-prop-2-ynylquinazolin-4-one
SMILESC#CCn1cnc2ccccc2c1=O
InChIInChI=1S/C11H8N2O/c1-2-7-13-8-12-10-6-4-3-5-9(10)11(13)14/h1,3-6,8H,7H2
InChIKeyRVWFESXIVOHRKV-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.03
Rot. Bonds1

About 3-prop-2-ynylquinazolin-4-one

3-prop-2-ynylquinazolin-4-one (PubChem CID 603496) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-prop-2-ynylquinazolin-4-one.

Molecular Properties

Compound Name3-prop-2-ynylquinazolin-4-one
PubChem CID603496
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name3-prop-2-ynylquinazolin-4-one
SMILESC#CCn1cnc2ccccc2c1=O
InChIInChI=1S/C11H8N2O/c1-2-7-13-8-12-10-6-4-3-5-9(10)11(13)14/h1,3-6,8H,7H2
InChIKeyRVWFESXIVOHRKV-UHFFFAOYSA-N
XLogP1.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-propylquinazolin-4-one
CID 529124
N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 90537872
3-(2,2-dihydroxypropyl)quinazolin-4-one
CID 142014716
3-[4-(2-methoxyphenoxy)but-2-ynyl]quinazolin-4-one
CID 2961330
3-(4-aminobutyl)quinazolin-4-one
CID 28823941
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
methyl-[2-(4-oxoquinazolin-3-yl)ethyl]-dipropylazanium
CID 21150141
3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
3-(5-aminopentyl)quinazolin-4-one
CID 54965918
3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one
CID 7772208
3-(oxiran-2-ylmethyl)quinazolin-4-one
CID 12905622

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-ynylquinazolin-4-one?
The IUPAC name of 3-prop-2-ynylquinazolin-4-one (CID 603496) is 3-prop-2-ynylquinazolin-4-one.
What is the SMILES notation for 3-prop-2-ynylquinazolin-4-one?
The canonical SMILES for 3-prop-2-ynylquinazolin-4-one is C#CCn1cnc2ccccc2c1=O.
What is the InChIKey of 3-prop-2-ynylquinazolin-4-one?
The InChIKey is RVWFESXIVOHRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-2-7-13-8-12-10-6-4-3-5-9(10)11(13)14/h1,3-6,8H,7H2.
What are the key properties of 3-prop-2-ynylquinazolin-4-one?
3-prop-2-ynylquinazolin-4-one has a molecular weight of 184.20 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-ynylquinazolin-4-one is sourced from PubChem (CID 603496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).