3-prop-2-enyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one

C16H15N3O — CID 42915048

IUPAC3-prop-2-enyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
SMILESC=CCN1C(=O)c2ccccc2NC1c1ccccn1
InChIInChI=1S/C16H15N3O/c1-2-11-19-15(14-9-5-6-10-17-14)18-13-8-4-3-7-12(13)16(19)20/h2-10,15,18H,1,11H2
InChIKeyCTPWZTJFGDQIAA-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.83
Rot. Bonds3

About 3-prop-2-enyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one

3-prop-2-enyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one (PubChem CID 42915048) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-prop-2-enyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-prop-2-enyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
PubChem CID42915048
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-prop-2-enyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
SMILESC=CCN1C(=O)c2ccccc2NC1c1ccccn1
InChIInChI=1S/C16H15N3O/c1-2-11-19-15(14-9-5-6-10-17-14)18-13-8-4-3-7-12(13)16(19)20/h2-10,15,18H,1,11H2
InChIKeyCTPWZTJFGDQIAA-UHFFFAOYSA-N
XLogP2.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-prop-2-enyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one (CID 42915048) is 3-prop-2-enyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-prop-2-enyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-prop-2-enyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one is C=CCN1C(=O)c2ccccc2NC1c1ccccn1.
What is the InChIKey of 3-prop-2-enyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is CTPWZTJFGDQIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-2-11-19-15(14-9-5-6-10-17-14)18-13-8-4-3-7-12(13)16(19)20/h2-10,15,18H,1,11H2.
What are the key properties of 3-prop-2-enyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one?
3-prop-2-enyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 265.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 42915048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).