2-(2-chlorophenyl)-4-ethoxyquinazoline

C16H13ClN2O — CID 914488

IUPAC2-(2-chlorophenyl)-4-ethoxyquinazoline
SMILESCCOc1nc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C16H13ClN2O/c1-2-20-16-12-8-4-6-10-14(12)18-15(19-16)11-7-3-5-9-13(11)17/h3-10H,2H2,1H3
InChIKeyHJUWSYFWKLDZAG-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.35
Rot. Bonds3

About 2-(2-chlorophenyl)-4-ethoxyquinazoline

2-(2-chlorophenyl)-4-ethoxyquinazoline (PubChem CID 914488) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-ethoxyquinazoline.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-ethoxyquinazoline
PubChem CID914488
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name2-(2-chlorophenyl)-4-ethoxyquinazoline
SMILESCCOc1nc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C16H13ClN2O/c1-2-20-16-12-8-4-6-10-14(12)18-15(19-16)11-7-3-5-9-13(11)17/h3-10H,2H2,1H3
InChIKeyHJUWSYFWKLDZAG-UHFFFAOYSA-N
XLogP4.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-ethoxyquinazoline?
The IUPAC name of 2-(2-chlorophenyl)-4-ethoxyquinazoline (CID 914488) is 2-(2-chlorophenyl)-4-ethoxyquinazoline.
What is the SMILES notation for 2-(2-chlorophenyl)-4-ethoxyquinazoline?
The canonical SMILES for 2-(2-chlorophenyl)-4-ethoxyquinazoline is CCOc1nc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2-chlorophenyl)-4-ethoxyquinazoline?
The InChIKey is HJUWSYFWKLDZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-2-20-16-12-8-4-6-10-14(12)18-15(19-16)11-7-3-5-9-13(11)17/h3-10H,2H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-ethoxyquinazoline?
2-(2-chlorophenyl)-4-ethoxyquinazoline has a molecular weight of 284.75 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-ethoxyquinazoline is sourced from PubChem (CID 914488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).