2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline

C15H14Cl2N2O — CID 178172473

IUPAC2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline
SMILESCOC1(c2ccccc2)CCc2nc(Cl)nc(Cl)c2C1
InChIInChI=1S/C15H14Cl2N2O/c1-20-15(10-5-3-2-4-6-10)8-7-12-11(9-15)13(16)19-14(17)18-12/h2-6H,7-9H2,1H3
InChIKeyVEOBAZTXFKQBAY-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.81
Rot. Bonds2

About 2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline

2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline (PubChem CID 178172473) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline.

Molecular Properties

Compound Name2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline
PubChem CID178172473
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline
SMILESCOC1(c2ccccc2)CCc2nc(Cl)nc(Cl)c2C1
InChIInChI=1S/C15H14Cl2N2O/c1-20-15(10-5-3-2-4-6-10)8-7-12-11(9-15)13(16)19-14(17)18-12/h2-6H,7-9H2,1H3
InChIKeyVEOBAZTXFKQBAY-UHFFFAOYSA-N
XLogP3.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline?
The IUPAC name of 2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline (CID 178172473) is 2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline.
What is the SMILES notation for 2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline?
The canonical SMILES for 2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline is COC1(c2ccccc2)CCc2nc(Cl)nc(Cl)c2C1.
What is the InChIKey of 2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline?
The InChIKey is VEOBAZTXFKQBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-20-15(10-5-3-2-4-6-10)8-7-12-11(9-15)13(16)19-14(17)18-12/h2-6H,7-9H2,1H3.
What are the key properties of 2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline?
2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline has a molecular weight of 309.20 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-methoxy-6-phenyl-7,8-dihydro-5H-quinazoline is sourced from PubChem (CID 178172473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).