2-amino-7-propan-2-yl-4aH-benzo[g]quinazolin-4-one

C15H15N3O — CID 58528111

IUPAC2-amino-7-propan-2-yl-4aH-benzo[g]quinazolin-4-one
SMILESCC(C)c1ccc2c(c1)=CC1C(=O)N=C(N)N=C1C=2
InChIInChI=1S/C15H15N3O/c1-8(2)9-3-4-10-7-13-12(6-11(10)5-9)14(19)18-15(16)17-13/h3-8,12H,1-2H3,(H2,16,18,19)
InChIKeyJKTJMPVMVKRYOZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.30
Rot. Bonds1

About 2-amino-7-propan-2-yl-4aH-benzo[g]quinazolin-4-one

2-amino-7-propan-2-yl-4aH-benzo[g]quinazolin-4-one (PubChem CID 58528111) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-amino-7-propan-2-yl-4aH-benzo[g]quinazolin-4-one.

Molecular Properties

Compound Name2-amino-7-propan-2-yl-4aH-benzo[g]quinazolin-4-one
PubChem CID58528111
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name2-amino-7-propan-2-yl-4aH-benzo[g]quinazolin-4-one
SMILESCC(C)c1ccc2c(c1)=CC1C(=O)N=C(N)N=C1C=2
InChIInChI=1S/C15H15N3O/c1-8(2)9-3-4-10-7-13-12(6-11(10)5-9)14(19)18-15(16)17-13/h3-8,12H,1-2H3,(H2,16,18,19)
InChIKeyJKTJMPVMVKRYOZ-UHFFFAOYSA-N
XLogP0.30
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-6-methyl-4aH-quinazolin-4-one
CID 72245701
2-amino-5-(trifluoromethyl)-4aH-quinazolin-4-one
CID 72739866
7-fluoro-2-methyl-4aH-quinazolin-4-one
CID 75216199
6-fluoro-2-methyl-4aH-quinazolin-4-one
CID 91668361
6aH-phenanthridin-6-one
CID 22100319
4aH-quinazolin-4-one
CID 57015225
3-propyl-8aH-isoquinolin-1-one
CID 57240393
2-methyl-4aH-quinazolin-4-one
CID 57310190
Raltitrexed Impurity N1
CID 72208418
3-ethyl-6,7-dimethyl-3H-quinolin-2-one
CID 73739984
2-ethyl-4aH-quinazolin-4-one
CID 77520332
2-chloro-4aH-quinazolin-4-one
CID 77520340

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-propan-2-yl-4aH-benzo[g]quinazolin-4-one?
The IUPAC name of 2-amino-7-propan-2-yl-4aH-benzo[g]quinazolin-4-one (CID 58528111) is 2-amino-7-propan-2-yl-4aH-benzo[g]quinazolin-4-one.
What is the SMILES notation for 2-amino-7-propan-2-yl-4aH-benzo[g]quinazolin-4-one?
The canonical SMILES for 2-amino-7-propan-2-yl-4aH-benzo[g]quinazolin-4-one is CC(C)c1ccc2c(c1)=CC1C(=O)N=C(N)N=C1C=2.
What is the InChIKey of 2-amino-7-propan-2-yl-4aH-benzo[g]quinazolin-4-one?
The InChIKey is JKTJMPVMVKRYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-8(2)9-3-4-10-7-13-12(6-11(10)5-9)14(19)18-15(16)17-13/h3-8,12H,1-2H3,(H2,16,18,19).
What are the key properties of 2-amino-7-propan-2-yl-4aH-benzo[g]quinazolin-4-one?
2-amino-7-propan-2-yl-4aH-benzo[g]quinazolin-4-one has a molecular weight of 253.30 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-propan-2-yl-4aH-benzo[g]quinazolin-4-one is sourced from PubChem (CID 58528111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).