3-ethyl-8-(4-methyl-1,4-diazepan-1-yl)-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride

C17H24Cl2N6O — CID 22921938

IUPAC3-ethyl-8-(4-methyl-1,4-diazepan-1-yl)-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride
SMILESCCn1c(=O)[nH]c2cc3c(N4CCCN(C)CC4)ncnc3cc21.Cl.Cl
InChIInChI=1S/C17H22N6O.2ClH/c1-3-23-15-10-13-12(9-14(15)20-17(23)24)16(19-11-18-13)22-6-4-5-21(2)7-8-22;;/h9-11H,3-8H2,1-2H3,(H,20,24);2*1H
InChIKeyVERYPYPLJLLGMU-UHFFFAOYSA-N
MW399.33 g/mol
LogP2.28
Rot. Bonds2

About 3-ethyl-8-(4-methyl-1,4-diazepan-1-yl)-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride

3-ethyl-8-(4-methyl-1,4-diazepan-1-yl)-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride (PubChem CID 22921938) has the molecular formula C17H24Cl2N6O and a molecular weight of 399.33 g/mol. Its IUPAC name is 3-ethyl-8-(4-methyl-1,4-diazepan-1-yl)-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride.

Molecular Properties

Compound Name3-ethyl-8-(4-methyl-1,4-diazepan-1-yl)-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride
PubChem CID22921938
Molecular FormulaC17H24Cl2N6O
Molecular Weight399.33 g/mol
Exact Mass398.14
IUPAC Name3-ethyl-8-(4-methyl-1,4-diazepan-1-yl)-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride
SMILESCCn1c(=O)[nH]c2cc3c(N4CCCN(C)CC4)ncnc3cc21.Cl.Cl
InChIInChI=1S/C17H22N6O.2ClH/c1-3-23-15-10-13-12(9-14(15)20-17(23)24)16(19-11-18-13)22-6-4-5-21(2)7-8-22;;/h9-11H,3-8H2,1-2H3,(H,20,24);2*1H
InChIKeyVERYPYPLJLLGMU-UHFFFAOYSA-N
XLogP2.28
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-8-(4-methyl-1,4-diazepan-1-yl)-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride with MolForge

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Related Compounds

7-Methyl-9-(1-methylpiperidin-4-yl)-2-[(7-methylquinoxalin-6-yl)amino]purin-8-one
CID 146275589
N-benzyl-4-(3-ethyl-1-methyl-2-oxoimidazo[4,5-g]quinazolin-8-yl)piperazine-1-carbothioamide
CID 11236566
3-Benzylimidazo[4,5-f]quinazoline-7,9-diamine
CID 44531661
3-cyclohexyl-N-phenyl-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine
CID 25198679
US11884671, Example 2
CID 146275477
US11884671, Example 5
CID 146275482
US11884671, Example 4
CID 153374034
N4-(2-pyrrolidin-1-ylethyl)quinazoline-4,6-diamine
CID 509541
3-butyl-N-(4-fluorophenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine
CID 44565386
US11292791, Example 567
CID 138479456
3-butyl-N-(4-methylphenyl)-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine
CID 25198680
8-(3-Bromoanilino)-1,3-dimethylimidazo[4,5-g]quinazolin-2-one;hydrochloride
CID 72375636

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-(4-methyl-1,4-diazepan-1-yl)-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride?
The IUPAC name of 3-ethyl-8-(4-methyl-1,4-diazepan-1-yl)-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride (CID 22921938) is 3-ethyl-8-(4-methyl-1,4-diazepan-1-yl)-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride.
What is the SMILES notation for 3-ethyl-8-(4-methyl-1,4-diazepan-1-yl)-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride?
The canonical SMILES for 3-ethyl-8-(4-methyl-1,4-diazepan-1-yl)-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride is CCn1c(=O)[nH]c2cc3c(N4CCCN(C)CC4)ncnc3cc21.Cl.Cl.
What is the InChIKey of 3-ethyl-8-(4-methyl-1,4-diazepan-1-yl)-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride?
The InChIKey is VERYPYPLJLLGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O.2ClH/c1-3-23-15-10-13-12(9-14(15)20-17(23)24)16(19-11-18-13)22-6-4-5-21(2)7-8-22;;/h9-11H,3-8H2,1-2H3,(H,20,24);2*1H.
What are the key properties of 3-ethyl-8-(4-methyl-1,4-diazepan-1-yl)-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride?
3-ethyl-8-(4-methyl-1,4-diazepan-1-yl)-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride has a molecular weight of 399.33 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-(4-methyl-1,4-diazepan-1-yl)-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride is sourced from PubChem (CID 22921938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).