6-amino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

C9H7N5O — CID 135483591

IUPAC6-amino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESNc1nc2cc3nc[nH]c3cc2c(=O)[nH]1
InChIInChI=1S/C9H7N5O/c10-9-13-5-2-7-6(11-3-12-7)1-4(5)8(15)14-9/h1-3H,(H,11,12)(H3,10,13,14,15)
InChIKeyVQSMWFVKBKMHTO-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.38
Rot. Bonds

About 6-amino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

6-amino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (PubChem CID 135483591) has the molecular formula C9H7N5O and a molecular weight of 201.19 g/mol. Its IUPAC name is 6-amino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.

Molecular Properties

Compound Name6-amino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
PubChem CID135483591
Molecular FormulaC9H7N5O
Molecular Weight201.19 g/mol
Exact Mass201.07
IUPAC Name6-amino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESNc1nc2cc3nc[nH]c3cc2c(=O)[nH]1
InChIInChI=1S/C9H7N5O/c10-9-13-5-2-7-6(11-3-12-7)1-4(5)8(15)14-9/h1-3H,(H,11,12)(H3,10,13,14,15)
InChIKeyVQSMWFVKBKMHTO-UHFFFAOYSA-N
XLogP0.38
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The IUPAC name of 6-amino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (CID 135483591) is 6-amino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.
What is the SMILES notation for 6-amino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The canonical SMILES for 6-amino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is Nc1nc2cc3nc[nH]c3cc2c(=O)[nH]1.
What is the InChIKey of 6-amino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The InChIKey is VQSMWFVKBKMHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O/c10-9-13-5-2-7-6(11-3-12-7)1-4(5)8(15)14-9/h1-3H,(H,11,12)(H3,10,13,14,15).
What are the key properties of 6-amino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
6-amino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one has a molecular weight of 201.19 g/mol, XLogP of 0.38, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is sourced from PubChem (CID 135483591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).