6-amino-2-(1,3-benzodioxol-5-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

C17H14N6O3 — CID 136862317

IUPAC6-amino-2-(1,3-benzodioxol-5-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESNc1nc2cc3nc(NCc4ccc5c(c4)OCO5)[nH]c3cc2c(=O)[nH]1
InChIInChI=1S/C17H14N6O3/c18-16-20-10-5-12-11(4-9(10)15(24)23-16)21-17(22-12)19-6-8-1-2-13-14(3-8)26-7-25-13/h1-5H,6-7H2,(H2,19,21,22)(H3,18,20,23,24)
InChIKeyIQSBSEKDHDDFOQ-UHFFFAOYSA-N
MW350.34 g/mol
LogP1.72
Rot. Bonds3

About 6-amino-2-(1,3-benzodioxol-5-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

6-amino-2-(1,3-benzodioxol-5-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (PubChem CID 136862317) has the molecular formula C17H14N6O3 and a molecular weight of 350.34 g/mol. Its IUPAC name is 6-amino-2-(1,3-benzodioxol-5-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.

Molecular Properties

Compound Name6-amino-2-(1,3-benzodioxol-5-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
PubChem CID136862317
Molecular FormulaC17H14N6O3
Molecular Weight350.34 g/mol
Exact Mass350.11
IUPAC Name6-amino-2-(1,3-benzodioxol-5-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESNc1nc2cc3nc(NCc4ccc5c(c4)OCO5)[nH]c3cc2c(=O)[nH]1
InChIInChI=1S/C17H14N6O3/c18-16-20-10-5-12-11(4-9(10)15(24)23-16)21-17(22-12)19-6-8-1-2-13-14(3-8)26-7-25-13/h1-5H,6-7H2,(H2,19,21,22)(H3,18,20,23,24)
InChIKeyIQSBSEKDHDDFOQ-UHFFFAOYSA-N
XLogP1.72
TPSA130.94 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-2-[(4-morpholin-4-ylphenyl)methylamino]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
CID 136862318
4-[2-[(6-amino-8-oxo-1,7-dihydroimidazo[4,5-g]quinazolin-2-yl)amino]ethyl]benzonitrile
CID 135566933
N-[(3-bromo-4-fluorophenyl)methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82564465
6-amino-2-(2-morpholin-4-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
CID 135566918
N-[[4-(trifluoromethyl)phenyl]methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82564457
N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
CID 82564500
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 74246041
4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methylamino]benzaldehyde
CID 137084033
N-[(3-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
CID 82564480
N-propyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82564426
2-(1,3-benzodioxol-5-ylmethylamino)-6-[(3,5-difluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 177383030
2-(1,3-benzodioxol-5-ylmethylamino)-6-[(3,4-dichlorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 177383034

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(1,3-benzodioxol-5-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The IUPAC name of 6-amino-2-(1,3-benzodioxol-5-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (CID 136862317) is 6-amino-2-(1,3-benzodioxol-5-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.
What is the SMILES notation for 6-amino-2-(1,3-benzodioxol-5-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The canonical SMILES for 6-amino-2-(1,3-benzodioxol-5-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is Nc1nc2cc3nc(NCc4ccc5c(c4)OCO5)[nH]c3cc2c(=O)[nH]1.
What is the InChIKey of 6-amino-2-(1,3-benzodioxol-5-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The InChIKey is IQSBSEKDHDDFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O3/c18-16-20-10-5-12-11(4-9(10)15(24)23-16)21-17(22-12)19-6-8-1-2-13-14(3-8)26-7-25-13/h1-5H,6-7H2,(H2,19,21,22)(H3,18,20,23,24).
What are the key properties of 6-amino-2-(1,3-benzodioxol-5-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
6-amino-2-(1,3-benzodioxol-5-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one has a molecular weight of 350.34 g/mol, XLogP of 1.72, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(1,3-benzodioxol-5-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is sourced from PubChem (CID 136862317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).