3-amino-5,6-dihydro-2H-benzo[f]quinazolin-1-one

C12H11N3O — CID 135838221

IUPAC3-amino-5,6-dihydro-2H-benzo[f]quinazolin-1-one
SMILESNc1nc2c(c(=O)[nH]1)-c1ccccc1CC2
InChIInChI=1S/C12H11N3O/c13-12-14-9-6-5-7-3-1-2-4-8(7)10(9)11(16)15-12/h1-4H,5-6H2,(H3,13,14,15,16)
InChIKeyVXKOVZZJDGUSEF-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.12
Rot. Bonds

About 3-amino-5,6-dihydro-2H-benzo[f]quinazolin-1-one

3-amino-5,6-dihydro-2H-benzo[f]quinazolin-1-one (PubChem CID 135838221) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-amino-5,6-dihydro-2H-benzo[f]quinazolin-1-one.

Molecular Properties

Compound Name3-amino-5,6-dihydro-2H-benzo[f]quinazolin-1-one
PubChem CID135838221
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name3-amino-5,6-dihydro-2H-benzo[f]quinazolin-1-one
SMILESNc1nc2c(c(=O)[nH]1)-c1ccccc1CC2
InChIInChI=1S/C12H11N3O/c13-12-14-9-6-5-7-3-1-2-4-8(7)10(9)11(16)15-12/h1-4H,5-6H2,(H3,13,14,15,16)
InChIKeyVXKOVZZJDGUSEF-UHFFFAOYSA-N
XLogP1.12
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-6-(2-phenylethyl)pyrimidin-4(3h)-one
CID 135408658
5-ethyl-2-hydrazinyl-5-methyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 135415731
2,6-Diamino-5-phenylpyrimidin-4(1H)-one
CID 135448367
3-amino-9-chloro-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838124
3-amino-7-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838178
3-amino-9-bromo-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
CID 135838179
3-amino-9-iodo-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838199
3-amino-9-chloro-6-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838236
3-amino-9-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838238
5,5-Diethyl-2-hydrazinyl-1,6-dihydrobenzo[h]quinazolin-4-one
CID 135496455
2-Hydrazinyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazolin-4-one
CID 135466692
2-Imino-5-methyl-6-phenyl-1,2-dihydropyrimidin-4-ol
CID 135449835

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
The IUPAC name of 3-amino-5,6-dihydro-2H-benzo[f]quinazolin-1-one (CID 135838221) is 3-amino-5,6-dihydro-2H-benzo[f]quinazolin-1-one.
What is the SMILES notation for 3-amino-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
The canonical SMILES for 3-amino-5,6-dihydro-2H-benzo[f]quinazolin-1-one is Nc1nc2c(c(=O)[nH]1)-c1ccccc1CC2.
What is the InChIKey of 3-amino-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
The InChIKey is VXKOVZZJDGUSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c13-12-14-9-6-5-7-3-1-2-4-8(7)10(9)11(16)15-12/h1-4H,5-6H2,(H3,13,14,15,16).
What are the key properties of 3-amino-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
3-amino-5,6-dihydro-2H-benzo[f]quinazolin-1-one has a molecular weight of 213.24 g/mol, XLogP of 1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,6-dihydro-2H-benzo[f]quinazolin-1-one is sourced from PubChem (CID 135838221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).