4-phenyl-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one

C18H16N2O — CID 4310916

IUPAC4-phenyl-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
SMILESO=C1NC2=C(CCc3ccccc32)C(c2ccccc2)N1
InChIInChI=1S/C18H16N2O/c21-18-19-16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17(15)20-18/h1-9,16H,10-11H2,(H2,19,20,21)
InChIKeyKJJLLGKZUIVHTE-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.40
Rot. Bonds1

About 4-phenyl-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one

4-phenyl-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one (PubChem CID 4310916) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-phenyl-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one.

Molecular Properties

Compound Name4-phenyl-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
PubChem CID4310916
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name4-phenyl-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
SMILESO=C1NC2=C(CCc3ccccc32)C(c2ccccc2)N1
InChIInChI=1S/C18H16N2O/c21-18-19-16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17(15)20-18/h1-9,16H,10-11H2,(H2,19,20,21)
InChIKeyKJJLLGKZUIVHTE-UHFFFAOYSA-N
XLogP3.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one?
The IUPAC name of 4-phenyl-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one (CID 4310916) is 4-phenyl-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one.
What is the SMILES notation for 4-phenyl-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one?
The canonical SMILES for 4-phenyl-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one is O=C1NC2=C(CCc3ccccc32)C(c2ccccc2)N1.
What is the InChIKey of 4-phenyl-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one?
The InChIKey is KJJLLGKZUIVHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c21-18-19-16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17(15)20-18/h1-9,16H,10-11H2,(H2,19,20,21).
What are the key properties of 4-phenyl-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one?
4-phenyl-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one has a molecular weight of 276.34 g/mol, XLogP of 3.40, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one is sourced from PubChem (CID 4310916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).