2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C14H14N2O — CID 135440564

IUPAC2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2c1CCCC2
InChIInChI=1S/C14H14N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,15,16,17)
InChIKeyUICMJIZPQLNBRS-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.32
Rot. Bonds1

About 2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135440564) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135440564
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2c1CCCC2
InChIInChI=1S/C14H14N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,15,16,17)
InChIKeyUICMJIZPQLNBRS-UHFFFAOYSA-N
XLogP2.32
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135440564) is 2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=c1[nH]c(-c2ccccc2)nc2c1CCCC2.
What is the InChIKey of 2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is UICMJIZPQLNBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,15,16,17).
What are the key properties of 2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 226.28 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135440564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).