2-(4-chlorophenyl)-4-propan-2-yloxyquinazoline

C17H15ClN2O — CID 914635

IUPAC2-(4-chlorophenyl)-4-propan-2-yloxyquinazoline
SMILESCC(C)Oc1nc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C17H15ClN2O/c1-11(2)21-17-14-5-3-4-6-15(14)19-16(20-17)12-7-9-13(18)10-8-12/h3-11H,1-2H3
InChIKeyPFSMHAKCRAKQKN-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.74
Rot. Bonds3

About 2-(4-chlorophenyl)-4-propan-2-yloxyquinazoline

2-(4-chlorophenyl)-4-propan-2-yloxyquinazoline (PubChem CID 914635) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-propan-2-yloxyquinazoline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-propan-2-yloxyquinazoline
PubChem CID914635
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name2-(4-chlorophenyl)-4-propan-2-yloxyquinazoline
SMILESCC(C)Oc1nc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C17H15ClN2O/c1-11(2)21-17-14-5-3-4-6-15(14)19-16(20-17)12-7-9-13(18)10-8-12/h3-11H,1-2H3
InChIKeyPFSMHAKCRAKQKN-UHFFFAOYSA-N
XLogP4.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-propan-2-yloxyquinazoline?
The IUPAC name of 2-(4-chlorophenyl)-4-propan-2-yloxyquinazoline (CID 914635) is 2-(4-chlorophenyl)-4-propan-2-yloxyquinazoline.
What is the SMILES notation for 2-(4-chlorophenyl)-4-propan-2-yloxyquinazoline?
The canonical SMILES for 2-(4-chlorophenyl)-4-propan-2-yloxyquinazoline is CC(C)Oc1nc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-4-propan-2-yloxyquinazoline?
The InChIKey is PFSMHAKCRAKQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11(2)21-17-14-5-3-4-6-15(14)19-16(20-17)12-7-9-13(18)10-8-12/h3-11H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-4-propan-2-yloxyquinazoline?
2-(4-chlorophenyl)-4-propan-2-yloxyquinazoline has a molecular weight of 298.77 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-propan-2-yloxyquinazoline is sourced from PubChem (CID 914635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).