3-amino-7,9-dimethyl-2H-benzo[f]quinazolin-1-one

C14H13N3O — CID 135838114

IUPAC3-amino-7,9-dimethyl-2H-benzo[f]quinazolin-1-one
SMILESCc1cc(C)c2ccc3nc(N)[nH]c(=O)c3c2c1
InChIInChI=1S/C14H13N3O/c1-7-5-8(2)9-3-4-11-12(10(9)6-7)13(18)17-14(15)16-11/h3-6H,1-2H3,(H3,15,16,17,18)
InChIKeyVLRQZZCQFUBRDA-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.28
Rot. Bonds

About 3-amino-7,9-dimethyl-2H-benzo[f]quinazolin-1-one

3-amino-7,9-dimethyl-2H-benzo[f]quinazolin-1-one (PubChem CID 135838114) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-amino-7,9-dimethyl-2H-benzo[f]quinazolin-1-one.

Molecular Properties

Compound Name3-amino-7,9-dimethyl-2H-benzo[f]quinazolin-1-one
PubChem CID135838114
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name3-amino-7,9-dimethyl-2H-benzo[f]quinazolin-1-one
SMILESCc1cc(C)c2ccc3nc(N)[nH]c(=O)c3c2c1
InChIInChI=1S/C14H13N3O/c1-7-5-8(2)9-3-4-11-12(10(9)6-7)13(18)17-14(15)16-11/h3-6H,1-2H3,(H3,15,16,17,18)
InChIKeyVLRQZZCQFUBRDA-UHFFFAOYSA-N
XLogP2.28
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Centazolone
CID 72846
2-amino-8-methyl-4(1H)-quinazolinone
CID 135460982
2-(3,4-dimethylanilino)-4(3H)-quinazolinone
CID 135439662
2-(3,5-dimethylanilino)-4(3H)-quinazolinone
CID 135439663
2-amino-6-methylquinazolin-4(3H)-one
CID 135474899
benzo[g]quinazolin-4(3H)-one
CID 135518939
3-Methyl-2H-benzo[f]quinazolin-1-one
CID 135838247
2-Methylbenzo[g]quinazolin-4(3H)-one
CID 135411809
3-Amino-9-bromobenzo[f]quinazolin-1(2H)-one
CID 135422913
3-amino-9-ethynyl benzo[f]quinazolin-1(2H)-one
CID 135622210
3-amino-9-vinylbenzo[f]quinazolin-1(2H)-one
CID 135838121
3,10-diamino-9-bromobenzo[f]quinazolin-1(2H)-one
CID 135838125

Frequently Asked Questions

What is the IUPAC name of 3-amino-7,9-dimethyl-2H-benzo[f]quinazolin-1-one?
The IUPAC name of 3-amino-7,9-dimethyl-2H-benzo[f]quinazolin-1-one (CID 135838114) is 3-amino-7,9-dimethyl-2H-benzo[f]quinazolin-1-one.
What is the SMILES notation for 3-amino-7,9-dimethyl-2H-benzo[f]quinazolin-1-one?
The canonical SMILES for 3-amino-7,9-dimethyl-2H-benzo[f]quinazolin-1-one is Cc1cc(C)c2ccc3nc(N)[nH]c(=O)c3c2c1.
What is the InChIKey of 3-amino-7,9-dimethyl-2H-benzo[f]quinazolin-1-one?
The InChIKey is VLRQZZCQFUBRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-7-5-8(2)9-3-4-11-12(10(9)6-7)13(18)17-14(15)16-11/h3-6H,1-2H3,(H3,15,16,17,18).
What are the key properties of 3-amino-7,9-dimethyl-2H-benzo[f]quinazolin-1-one?
3-amino-7,9-dimethyl-2H-benzo[f]quinazolin-1-one has a molecular weight of 239.28 g/mol, XLogP of 2.28, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7,9-dimethyl-2H-benzo[f]quinazolin-1-one is sourced from PubChem (CID 135838114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).