7-methoxy-3-methyl-1,2,2a,8-tetrahydroazeto[2,1-b]quinazolin-2-amine

C12H17N3O — CID 67963135

IUPAC7-methoxy-3-methyl-1,2,2a,8-tetrahydroazeto[2,1-b]quinazolin-2-amine
SMILESCOc1cccc2c1CN1CC(N)C1N2C
InChIInChI=1S/C12H17N3O/c1-14-10-4-3-5-11(16-2)8(10)6-15-7-9(13)12(14)15/h3-5,9,12H,6-7,13H2,1-2H3
InChIKeyOIFQPCFGIXJUMM-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.61
Rot. Bonds1

About 7-methoxy-3-methyl-1,2,2a,8-tetrahydroazeto[2,1-b]quinazolin-2-amine

7-methoxy-3-methyl-1,2,2a,8-tetrahydroazeto[2,1-b]quinazolin-2-amine (PubChem CID 67963135) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 7-methoxy-3-methyl-1,2,2a,8-tetrahydroazeto[2,1-b]quinazolin-2-amine.

Molecular Properties

Compound Name7-methoxy-3-methyl-1,2,2a,8-tetrahydroazeto[2,1-b]quinazolin-2-amine
PubChem CID67963135
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name7-methoxy-3-methyl-1,2,2a,8-tetrahydroazeto[2,1-b]quinazolin-2-amine
SMILESCOc1cccc2c1CN1CC(N)C1N2C
InChIInChI=1S/C12H17N3O/c1-14-10-4-3-5-11(16-2)8(10)6-15-7-9(13)12(14)15/h3-5,9,12H,6-7,13H2,1-2H3
InChIKeyOIFQPCFGIXJUMM-UHFFFAOYSA-N
XLogP0.61
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methyl-1,2,2a,8-tetrahydroazeto[2,1-b]quinazolin-2-amine?
The IUPAC name of 7-methoxy-3-methyl-1,2,2a,8-tetrahydroazeto[2,1-b]quinazolin-2-amine (CID 67963135) is 7-methoxy-3-methyl-1,2,2a,8-tetrahydroazeto[2,1-b]quinazolin-2-amine.
What is the SMILES notation for 7-methoxy-3-methyl-1,2,2a,8-tetrahydroazeto[2,1-b]quinazolin-2-amine?
The canonical SMILES for 7-methoxy-3-methyl-1,2,2a,8-tetrahydroazeto[2,1-b]quinazolin-2-amine is COc1cccc2c1CN1CC(N)C1N2C.
What is the InChIKey of 7-methoxy-3-methyl-1,2,2a,8-tetrahydroazeto[2,1-b]quinazolin-2-amine?
The InChIKey is OIFQPCFGIXJUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-14-10-4-3-5-11(16-2)8(10)6-15-7-9(13)12(14)15/h3-5,9,12H,6-7,13H2,1-2H3.
What are the key properties of 7-methoxy-3-methyl-1,2,2a,8-tetrahydroazeto[2,1-b]quinazolin-2-amine?
7-methoxy-3-methyl-1,2,2a,8-tetrahydroazeto[2,1-b]quinazolin-2-amine has a molecular weight of 219.29 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methyl-1,2,2a,8-tetrahydroazeto[2,1-b]quinazolin-2-amine is sourced from PubChem (CID 67963135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).