2-(2-chlorophenyl)-4-prop-2-enoxyquinazoline

C17H13ClN2O — CID 3742855

IUPAC2-(2-chlorophenyl)-4-prop-2-enoxyquinazoline
SMILESC=CCOc1nc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C17H13ClN2O/c1-2-11-21-17-13-8-4-6-10-15(13)19-16(20-17)12-7-3-5-9-14(12)18/h2-10H,1,11H2
InChIKeyIZORQOGAWOPYPP-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.51
Rot. Bonds4

About 2-(2-chlorophenyl)-4-prop-2-enoxyquinazoline

2-(2-chlorophenyl)-4-prop-2-enoxyquinazoline (PubChem CID 3742855) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-prop-2-enoxyquinazoline.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-prop-2-enoxyquinazoline
PubChem CID3742855
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name2-(2-chlorophenyl)-4-prop-2-enoxyquinazoline
SMILESC=CCOc1nc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C17H13ClN2O/c1-2-11-21-17-13-8-4-6-10-15(13)19-16(20-17)12-7-3-5-9-14(12)18/h2-10H,1,11H2
InChIKeyIZORQOGAWOPYPP-UHFFFAOYSA-N
XLogP4.51
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-chlorophenyl)-4-prop-2-enoxyquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-prop-2-enoxyquinazoline?
The IUPAC name of 2-(2-chlorophenyl)-4-prop-2-enoxyquinazoline (CID 3742855) is 2-(2-chlorophenyl)-4-prop-2-enoxyquinazoline.
What is the SMILES notation for 2-(2-chlorophenyl)-4-prop-2-enoxyquinazoline?
The canonical SMILES for 2-(2-chlorophenyl)-4-prop-2-enoxyquinazoline is C=CCOc1nc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2-chlorophenyl)-4-prop-2-enoxyquinazoline?
The InChIKey is IZORQOGAWOPYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-2-11-21-17-13-8-4-6-10-15(13)19-16(20-17)12-7-3-5-9-14(12)18/h2-10H,1,11H2.
What are the key properties of 2-(2-chlorophenyl)-4-prop-2-enoxyquinazoline?
2-(2-chlorophenyl)-4-prop-2-enoxyquinazoline has a molecular weight of 296.76 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-prop-2-enoxyquinazoline is sourced from PubChem (CID 3742855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).