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

C23H28N6O2 — CID 21465406

IUPAC8-[[2-[3-(dimethylamino)propoxy]phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one
SMILESCCn1c(=O)[nH]c2cc3c(NCc4ccccc4OCCCN(C)C)ncnc3cc21
InChIInChI=1S/C23H28N6O2/c1-4-29-20-13-18-17(12-19(20)27-23(29)30)22(26-15-25-18)24-14-16-8-5-6-9-21(16)31-11-7-10-28(2)3/h5-6,8-9,12-13,15H,4,7,10-11,14H2,1-3H3,(H,27,30)(H,24,25,26)
InChIKeyUMCZVXNMHSQBPJ-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.24
Rot. Bonds9

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

8-[[2-[3-(dimethylamino)propoxy]phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one (PubChem CID 21465406) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 8-[[2-[3-(dimethylamino)propoxy]phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one.

Molecular Properties

Compound Name8-[[2-[3-(dimethylamino)propoxy]phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one
PubChem CID21465406
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name8-[[2-[3-(dimethylamino)propoxy]phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one
SMILESCCn1c(=O)[nH]c2cc3c(NCc4ccccc4OCCCN(C)C)ncnc3cc21
InChIInChI=1S/C23H28N6O2/c1-4-29-20-13-18-17(12-19(20)27-23(29)30)22(26-15-25-18)24-14-16-8-5-6-9-21(16)31-11-7-10-28(2)3/h5-6,8-9,12-13,15H,4,7,10-11,14H2,1-3H3,(H,27,30)(H,24,25,26)
InChIKeyUMCZVXNMHSQBPJ-UHFFFAOYSA-N
XLogP3.24
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

3-ethyl-8-[[2-(2-piperidin-1-ylethoxy)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one
CID 67693856
3-ethyl-8-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one
CID 67693939
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
3-ethyl-8-[[4-(methylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one
CID 15480528
8-[3-(dimethylamino)propylamino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione
CID 22921728
8-[2-(dimethylamino)ethyl-methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride
CID 22921903
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-(thiophen-2-ylmethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione
CID 57098572
3-ethyl-8-(2-pyridin-2-ylethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride
CID 22921729
3-ethyl-8-[[phenyl(pyridin-2-yl)methyl]amino]-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride
CID 22921934

Frequently Asked Questions

What is the IUPAC name of 8-[[2-[3-(dimethylamino)propoxy]phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one?
The IUPAC name of 8-[[2-[3-(dimethylamino)propoxy]phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one (CID 21465406) is 8-[[2-[3-(dimethylamino)propoxy]phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one.
What is the SMILES notation for 8-[[2-[3-(dimethylamino)propoxy]phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one?
The canonical SMILES for 8-[[2-[3-(dimethylamino)propoxy]phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one is CCn1c(=O)[nH]c2cc3c(NCc4ccccc4OCCCN(C)C)ncnc3cc21.
What is the InChIKey of 8-[[2-[3-(dimethylamino)propoxy]phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one?
The InChIKey is UMCZVXNMHSQBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-4-29-20-13-18-17(12-19(20)27-23(29)30)22(26-15-25-18)24-14-16-8-5-6-9-21(16)31-11-7-10-28(2)3/h5-6,8-9,12-13,15H,4,7,10-11,14H2,1-3H3,(H,27,30)(H,24,25,26).
What are the key properties of 8-[[2-[3-(dimethylamino)propoxy]phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one?
8-[[2-[3-(dimethylamino)propoxy]phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one has a molecular weight of 420.52 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-[3-(dimethylamino)propoxy]phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one is sourced from PubChem (CID 21465406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).