2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

C10H9N5O — CID 135566565

IUPAC2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESCNc1nc2cc3nc[nH]c(=O)c3cc2[nH]1
InChIInChI=1S/C10H9N5O/c1-11-10-14-7-2-5-6(3-8(7)15-10)12-4-13-9(5)16/h2-4H,1H3,(H2,11,14,15)(H,12,13,16)
InChIKeyDGRUEIDKEKQZFU-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.84
Rot. Bonds1

About 2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (PubChem CID 135566565) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.

Molecular Properties

Compound Name2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
PubChem CID135566565
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESCNc1nc2cc3nc[nH]c(=O)c3cc2[nH]1
InChIInChI=1S/C10H9N5O/c1-11-10-14-7-2-5-6(3-8(7)15-10)12-4-13-9(5)16/h2-4H,1H3,(H2,11,14,15)(H,12,13,16)
InChIKeyDGRUEIDKEKQZFU-UHFFFAOYSA-N
XLogP0.84
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Veliparib
CID 11960529
2-(1-propylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
CID 9925908
2-(1,3-dimethylpyrrolidin-3-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 25190749
6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
CID 135566329
2,6-diamino-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
CID 135566394
6-amino-2-methyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
CID 135566422
6-amino-2-((2-morpholin-4-ylethyl)amino)-3,7-dihydro-8H-imidazo(4,5-g)quinazolin-8-one
CID 135566918
6-amino-2-((thiophen-2-ylmethyl)amino)-1,7-dihydro-8H-imidazo(4,5-g)quinazolin-8-one
CID 135800218
6-Amino-3,7-dihydro-imidazo(4,5-G)quinazolin-8-one
CID 135483591
(R)-2-(2-methylpyrrolidin-2-yl)-1H-benzo(d)imidazole-4-carboxamide dihydrochloride
CID 45480520
2-(piperidin-3-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 9795674
2-(1-methylpiperidin-3-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 9817572

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The IUPAC name of 2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (CID 135566565) is 2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.
What is the SMILES notation for 2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The canonical SMILES for 2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is CNc1nc2cc3nc[nH]c(=O)c3cc2[nH]1.
What is the InChIKey of 2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The InChIKey is DGRUEIDKEKQZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c1-11-10-14-7-2-5-6(3-8(7)15-10)12-4-13-9(5)16/h2-4H,1H3,(H2,11,14,15)(H,12,13,16).
What are the key properties of 2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one has a molecular weight of 215.22 g/mol, XLogP of 0.84, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is sourced from PubChem (CID 135566565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).