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

C19H18N2O — CID 663869

IUPAC4-(4-methylphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
SMILESCc1ccc(C2NC(=O)NC3=C2CCc2ccccc23)cc1
InChIInChI=1S/C19H18N2O/c1-12-6-8-14(9-7-12)17-16-11-10-13-4-2-3-5-15(13)18(16)21-19(22)20-17/h2-9,17H,10-11H2,1H3,(H2,20,21,22)
InChIKeyJCEPOUFXZCBVLC-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.71
Rot. Bonds1

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

4-(4-methylphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one (PubChem CID 663869) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-(4-methylphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
PubChem CID663869
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name4-(4-methylphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
SMILESCc1ccc(C2NC(=O)NC3=C2CCc2ccccc23)cc1
InChIInChI=1S/C19H18N2O/c1-12-6-8-14(9-7-12)17-16-11-10-13-4-2-3-5-15(13)18(16)21-19(22)20-17/h2-9,17H,10-11H2,1H3,(H2,20,21,22)
InChIKeyJCEPOUFXZCBVLC-UHFFFAOYSA-N
XLogP3.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one?
The IUPAC name of 4-(4-methylphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one (CID 663869) is 4-(4-methylphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one.
What is the SMILES notation for 4-(4-methylphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one?
The canonical SMILES for 4-(4-methylphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one is Cc1ccc(C2NC(=O)NC3=C2CCc2ccccc23)cc1.
What is the InChIKey of 4-(4-methylphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one?
The InChIKey is JCEPOUFXZCBVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-12-6-8-14(9-7-12)17-16-11-10-13-4-2-3-5-15(13)18(16)21-19(22)20-17/h2-9,17H,10-11H2,1H3,(H2,20,21,22).
What are the key properties of 4-(4-methylphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one?
4-(4-methylphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one has a molecular weight of 290.37 g/mol, XLogP of 3.71, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one is sourced from PubChem (CID 663869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).