1,4,7,9-tetrahydroimidazo[4,5-g]quinazolin-8-one

C9H8N4O — CID 137121597

IUPAC1,4,7,9-tetrahydroimidazo[4,5-g]quinazolin-8-one
SMILESO=c1[nH]cnc2c1Cc1[nH]cnc1C2
InChIInChI=1S/C9H8N4O/c14-9-5-1-7-8(12-3-11-7)2-6(5)10-4-13-9/h3-4H,1-2H2,(H,11,12)(H,10,13,14)
InChIKeyGEIOXBJNTIAOFU-UHFFFAOYSA-N
MW188.19 g/mol
LogP-0.01
Rot. Bonds

About 1,4,7,9-tetrahydroimidazo[4,5-g]quinazolin-8-one

1,4,7,9-tetrahydroimidazo[4,5-g]quinazolin-8-one (PubChem CID 137121597) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 1,4,7,9-tetrahydroimidazo[4,5-g]quinazolin-8-one.

Molecular Properties

Compound Name1,4,7,9-tetrahydroimidazo[4,5-g]quinazolin-8-one
PubChem CID137121597
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name1,4,7,9-tetrahydroimidazo[4,5-g]quinazolin-8-one
SMILESO=c1[nH]cnc2c1Cc1[nH]cnc1C2
InChIInChI=1S/C9H8N4O/c14-9-5-1-7-8(12-3-11-7)2-6(5)10-4-13-9/h3-4H,1-2H2,(H,11,12)(H,10,13,14)
InChIKeyGEIOXBJNTIAOFU-UHFFFAOYSA-N
XLogP-0.01
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4,6-dihydro-1H-pyrimido[4,5-c]pyridazin-5-one
CID 137274745
3,5-dihydroindeno[1,2-d]pyrimidin-4-one
CID 135433734
7-(bicyclo[1.1.0]butane-1-carbonyl)-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 167980645
6-acetyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136693506
6H-[1,2]oxazolo[4,5-d]pyrimidine-3,7-dione
CID 137175920
5-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
CID 135741900
4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-6,7-dicarboxylic acid
CID 136651966
6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid
CID 167021420
1,7-dihydropurin-6-one
CID 135546991
tert-butyl 4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 135638419
7-[4-(azepan-1-yl)phthalazin-1-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 155955238
azane;1,7-dihydropurin-6-one
CID 158320966

Frequently Asked Questions

What is the IUPAC name of 1,4,7,9-tetrahydroimidazo[4,5-g]quinazolin-8-one?
The IUPAC name of 1,4,7,9-tetrahydroimidazo[4,5-g]quinazolin-8-one (CID 137121597) is 1,4,7,9-tetrahydroimidazo[4,5-g]quinazolin-8-one.
What is the SMILES notation for 1,4,7,9-tetrahydroimidazo[4,5-g]quinazolin-8-one?
The canonical SMILES for 1,4,7,9-tetrahydroimidazo[4,5-g]quinazolin-8-one is O=c1[nH]cnc2c1Cc1[nH]cnc1C2.
What is the InChIKey of 1,4,7,9-tetrahydroimidazo[4,5-g]quinazolin-8-one?
The InChIKey is GEIOXBJNTIAOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c14-9-5-1-7-8(12-3-11-7)2-6(5)10-4-13-9/h3-4H,1-2H2,(H,11,12)(H,10,13,14).
What are the key properties of 1,4,7,9-tetrahydroimidazo[4,5-g]quinazolin-8-one?
1,4,7,9-tetrahydroimidazo[4,5-g]quinazolin-8-one has a molecular weight of 188.19 g/mol, XLogP of -0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,9-tetrahydroimidazo[4,5-g]quinazolin-8-one is sourced from PubChem (CID 137121597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).