2-but-3-yn-2-ylquinazoline

C12H10N2 — CID 173036469

IUPAC2-but-3-yn-2-ylquinazoline
SMILESC#CC(C)c1ncc2ccccc2n1
InChIInChI=1S/C12H10N2/c1-3-9(2)12-13-8-10-6-4-5-7-11(10)14-12/h1,4-9H,2H3
InChIKeyUMIWNUYAMIJLOJ-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.37
Rot. Bonds1

About 2-but-3-yn-2-ylquinazoline

2-but-3-yn-2-ylquinazoline (PubChem CID 173036469) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-but-3-yn-2-ylquinazoline.

Molecular Properties

Compound Name2-but-3-yn-2-ylquinazoline
PubChem CID173036469
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name2-but-3-yn-2-ylquinazoline
SMILESC#CC(C)c1ncc2ccccc2n1
InChIInChI=1S/C12H10N2/c1-3-9(2)12-13-8-10-6-4-5-7-11(10)14-12/h1,4-9H,2H3
InChIKeyUMIWNUYAMIJLOJ-UHFFFAOYSA-N
XLogP2.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-2-quinazolin-2-ylpropanenitrile
CID 114789796
2-methylquinazoline
CID 588987
2-heptan-3-ylquinazoline
CID 70306859
3-quinazolin-2-ylsulfanylbutan-1-ol
CID 114789384
2-methylquinazoline;platinum
CID 140601163
ethane;2-methylquinazoline
CID 176988292
trimethyl(quinazolin-2-yl)silane
CID 142509748
2-methoxyquinazoline
CID 594801
but-3-yn-2-yl quinoline-2-carboxylate
CID 71987794
2-ethylquinazoline;hydrochloride
CID 153374561
1-(quinazolin-2-ylamino)propan-2-ol
CID 114788870
1-[methyl(quinazolin-2-yl)amino]propan-2-ol
CID 114789604

Frequently Asked Questions

What is the IUPAC name of 2-but-3-yn-2-ylquinazoline?
The IUPAC name of 2-but-3-yn-2-ylquinazoline (CID 173036469) is 2-but-3-yn-2-ylquinazoline.
What is the SMILES notation for 2-but-3-yn-2-ylquinazoline?
The canonical SMILES for 2-but-3-yn-2-ylquinazoline is C#CC(C)c1ncc2ccccc2n1.
What is the InChIKey of 2-but-3-yn-2-ylquinazoline?
The InChIKey is UMIWNUYAMIJLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-3-9(2)12-13-8-10-6-4-5-7-11(10)14-12/h1,4-9H,2H3.
What are the key properties of 2-but-3-yn-2-ylquinazoline?
2-but-3-yn-2-ylquinazoline has a molecular weight of 182.23 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-yn-2-ylquinazoline is sourced from PubChem (CID 173036469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).