5,6-dihydro-3H-benzo[h]quinazolin-4-one

C12H10N2O — CID 135452475

IUPAC5,6-dihydro-3H-benzo[h]quinazolin-4-one
SMILESO=c1[nH]cnc2c1CCc1ccccc1-2
InChIInChI=1S/C12H10N2O/c15-12-10-6-5-8-3-1-2-4-9(8)11(10)13-7-14-12/h1-4,7H,5-6H2,(H,13,14,15)
InChIKeyUZBYZWOESBBUFB-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.54
Rot. Bonds

About 5,6-dihydro-3H-benzo[h]quinazolin-4-one

5,6-dihydro-3H-benzo[h]quinazolin-4-one (PubChem CID 135452475) has the molecular formula C12H10N2O and a molecular weight of 198.23 g/mol. Its IUPAC name is 5,6-dihydro-3H-benzo[h]quinazolin-4-one.

Molecular Properties

Compound Name5,6-dihydro-3H-benzo[h]quinazolin-4-one
PubChem CID135452475
Molecular FormulaC12H10N2O
Molecular Weight198.23 g/mol
Exact Mass198.08
IUPAC Name5,6-dihydro-3H-benzo[h]quinazolin-4-one
SMILESO=c1[nH]cnc2c1CCc1ccccc1-2
InChIInChI=1S/C12H10N2O/c15-12-10-6-5-8-3-1-2-4-9(8)11(10)13-7-14-12/h1-4,7H,5-6H2,(H,13,14,15)
InChIKeyUZBYZWOESBBUFB-UHFFFAOYSA-N
XLogP1.54
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Phenylpyrimidin-4-ol
CID 211147
3-Amino-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
CID 135838221
5-Phenyl-5H-pyrano[2,3-d;6,5-d']dipyrimidine-4,6-diol
CID 2920563
2-[(Dimethylamino)methyl]-5,5-diethyl-5,6-dihydrobenzo[h]quinazolin-4-ol
CID 135400164
3-amino-9-iodo-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838199
3-amino-9-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838238
3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
CID 799645
6-Phenylpyrimidin-4-ol
CID 135418832
N-(4-oxo-3-spiro[6H-benzo[h]quinazoline-5,1''-cyclopentane]yl)butanamide
CID 657671
3-amino-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one
CID 757826
2,5,5-Triethyl-5,6-dihydro-3H-benzo[h]quinazolin-4-one
CID 135516037
2-Diethylaminomethyl-5,5-diethyl-5,6-dihydro-3H-benzo[h]quinazolin-4-one
CID 135516039

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-3H-benzo[h]quinazolin-4-one?
The IUPAC name of 5,6-dihydro-3H-benzo[h]quinazolin-4-one (CID 135452475) is 5,6-dihydro-3H-benzo[h]quinazolin-4-one.
What is the SMILES notation for 5,6-dihydro-3H-benzo[h]quinazolin-4-one?
The canonical SMILES for 5,6-dihydro-3H-benzo[h]quinazolin-4-one is O=c1[nH]cnc2c1CCc1ccccc1-2.
What is the InChIKey of 5,6-dihydro-3H-benzo[h]quinazolin-4-one?
The InChIKey is UZBYZWOESBBUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c15-12-10-6-5-8-3-1-2-4-9(8)11(10)13-7-14-12/h1-4,7H,5-6H2,(H,13,14,15).
What are the key properties of 5,6-dihydro-3H-benzo[h]quinazolin-4-one?
5,6-dihydro-3H-benzo[h]quinazolin-4-one has a molecular weight of 198.23 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-3H-benzo[h]quinazolin-4-one is sourced from PubChem (CID 135452475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).