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

C16H24Cl2N6O — CID 22921903

IUPAC8-[2-(dimethylamino)ethyl-methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride
SMILESCCn1c(=O)[nH]c2cc3c(N(C)CCN(C)C)ncnc3cc21.Cl.Cl
InChIInChI=1S/C16H22N6O.2ClH/c1-5-22-14-9-12-11(8-13(14)19-16(22)23)15(18-10-17-12)21(4)7-6-20(2)3;;/h8-10H,5-7H2,1-4H3,(H,19,23);2*1H
InChIKeyFRGXAIDSAIRFLQ-UHFFFAOYSA-N
MW387.32 g/mol
LogP2.13
Rot. Bonds5

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

8-[2-(dimethylamino)ethyl-methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride (PubChem CID 22921903) has the molecular formula C16H24Cl2N6O and a molecular weight of 387.32 g/mol. Its IUPAC name is 8-[2-(dimethylamino)ethyl-methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride.

Molecular Properties

Compound Name8-[2-(dimethylamino)ethyl-methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride
PubChem CID22921903
Molecular FormulaC16H24Cl2N6O
Molecular Weight387.32 g/mol
Exact Mass386.14
IUPAC Name8-[2-(dimethylamino)ethyl-methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride
SMILESCCn1c(=O)[nH]c2cc3c(N(C)CCN(C)C)ncnc3cc21.Cl.Cl
InChIInChI=1S/C16H22N6O.2ClH/c1-5-22-14-9-12-11(8-13(14)19-16(22)23)15(18-10-17-12)21(4)7-6-20(2)3;;/h8-10H,5-7H2,1-4H3,(H,19,23);2*1H
InChIKeyFRGXAIDSAIRFLQ-UHFFFAOYSA-N
XLogP2.13
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(dimethylamino)ethyl-methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride?
The IUPAC name of 8-[2-(dimethylamino)ethyl-methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride (CID 22921903) is 8-[2-(dimethylamino)ethyl-methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride.
What is the SMILES notation for 8-[2-(dimethylamino)ethyl-methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride?
The canonical SMILES for 8-[2-(dimethylamino)ethyl-methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride is CCn1c(=O)[nH]c2cc3c(N(C)CCN(C)C)ncnc3cc21.Cl.Cl.
What is the InChIKey of 8-[2-(dimethylamino)ethyl-methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride?
The InChIKey is FRGXAIDSAIRFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O.2ClH/c1-5-22-14-9-12-11(8-13(14)19-16(22)23)15(18-10-17-12)21(4)7-6-20(2)3;;/h8-10H,5-7H2,1-4H3,(H,19,23);2*1H.
What are the key properties of 8-[2-(dimethylamino)ethyl-methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride?
8-[2-(dimethylamino)ethyl-methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride has a molecular weight of 387.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(dimethylamino)ethyl-methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride is sourced from PubChem (CID 22921903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).