3-ethyl-8-[[2-(2-piperidin-1-ylethoxy)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one

C25H30N6O2 — CID 67693856

IUPAC3-ethyl-8-[[2-(2-piperidin-1-ylethoxy)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one
SMILESCCn1c(=O)[nH]c2cc3c(NCc4ccccc4OCCN4CCCCC4)ncnc3cc21
InChIInChI=1S/C25H30N6O2/c1-2-31-22-15-20-19(14-21(22)29-25(31)32)24(28-17-27-20)26-16-18-8-4-5-9-23(18)33-13-12-30-10-6-3-7-11-30/h4-5,8-9,14-15,17H,2-3,6-7,10-13,16H2,1H3,(H,29,32)(H,26,27,28)
InChIKeySZSDCGVUQHUANA-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.77
Rot. Bonds8

About 3-ethyl-8-[[2-(2-piperidin-1-ylethoxy)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one

3-ethyl-8-[[2-(2-piperidin-1-ylethoxy)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one (PubChem CID 67693856) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 3-ethyl-8-[[2-(2-piperidin-1-ylethoxy)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one.

Molecular Properties

Compound Name3-ethyl-8-[[2-(2-piperidin-1-ylethoxy)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one
PubChem CID67693856
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name3-ethyl-8-[[2-(2-piperidin-1-ylethoxy)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one
SMILESCCn1c(=O)[nH]c2cc3c(NCc4ccccc4OCCN4CCCCC4)ncnc3cc21
InChIInChI=1S/C25H30N6O2/c1-2-31-22-15-20-19(14-21(22)29-25(31)32)24(28-17-27-20)26-16-18-8-4-5-9-23(18)33-13-12-30-10-6-3-7-11-30/h4-5,8-9,14-15,17H,2-3,6-7,10-13,16H2,1H3,(H,29,32)(H,26,27,28)
InChIKeySZSDCGVUQHUANA-UHFFFAOYSA-N
XLogP3.77
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-8-[[2-(2-piperidin-1-ylethoxy)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one with MolForge

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Related Compounds

3-ethyl-8-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one
CID 67693939
8-[[2-[3-(dimethylamino)propoxy]phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one
CID 21465406
3-ethyl-8-[[2-(2-methoxyethylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one
CID 23293023
3-ethyl-8-[(4-methoxyphenyl)methylamino]-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride
CID 22921774
8-[(4-chlorophenyl)methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride
CID 22921755
ethyl 4-[2-[[(3-ethyl-2-sulfanylidene-1H-imidazo[4,5-g]quinazolin-8-yl)amino]methyl]phenyl]piperazine-1-carboxylate
CID 23292974
3-ethyl-8-(4-methyl-1,4-diazepan-1-yl)-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride
CID 22921938
N-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-2-methylbenzenesulfonamide
CID 10276098
1-[2-(2-propylphenoxy)ethyl]pyrrolidine
CID 173254301
4-(3-ethyl-2-oxo-1H-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carboxylic acid
CID 22707521
1-[2-(2-butylphenoxy)ethyl]piperidine
CID 5129730
N-[(2-ethoxyphenyl)methyl]-3-(2-piperidin-1-ylethyl)-1H-benzimidazol-3-ium-2-amine
CID 1423571

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-[[2-(2-piperidin-1-ylethoxy)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one?
The IUPAC name of 3-ethyl-8-[[2-(2-piperidin-1-ylethoxy)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one (CID 67693856) is 3-ethyl-8-[[2-(2-piperidin-1-ylethoxy)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one.
What is the SMILES notation for 3-ethyl-8-[[2-(2-piperidin-1-ylethoxy)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one?
The canonical SMILES for 3-ethyl-8-[[2-(2-piperidin-1-ylethoxy)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one is CCn1c(=O)[nH]c2cc3c(NCc4ccccc4OCCN4CCCCC4)ncnc3cc21.
What is the InChIKey of 3-ethyl-8-[[2-(2-piperidin-1-ylethoxy)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one?
The InChIKey is SZSDCGVUQHUANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-2-31-22-15-20-19(14-21(22)29-25(31)32)24(28-17-27-20)26-16-18-8-4-5-9-23(18)33-13-12-30-10-6-3-7-11-30/h4-5,8-9,14-15,17H,2-3,6-7,10-13,16H2,1H3,(H,29,32)(H,26,27,28).
What are the key properties of 3-ethyl-8-[[2-(2-piperidin-1-ylethoxy)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one?
3-ethyl-8-[[2-(2-piperidin-1-ylethoxy)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one has a molecular weight of 446.56 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-[[2-(2-piperidin-1-ylethoxy)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one is sourced from PubChem (CID 67693856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).