2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)-1-(2-piperazin-1-ylethyl)imidazo[4,5-c]quinoline

C24H35N7O — CID 123149994

IUPAC2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)-1-(2-piperazin-1-ylethyl)imidazo[4,5-c]quinoline
SMILESCCOCc1nc2c(N3CCN(C)CC3)nc3ccccc3c2n1CCN1CCNCC1
InChIInChI=1S/C24H35N7O/c1-3-32-18-21-27-22-23(31(21)17-14-29-10-8-25-9-11-29)19-6-4-5-7-20(19)26-24(22)30-15-12-28(2)13-16-30/h4-7,25H,3,8-18H2,1-2H3
InChIKeySZWKUDIZEQKCCC-UHFFFAOYSA-N
MW437.59 g/mol
LogP1.78
Rot. Bonds7

About 2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)-1-(2-piperazin-1-ylethyl)imidazo[4,5-c]quinoline

2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)-1-(2-piperazin-1-ylethyl)imidazo[4,5-c]quinoline (PubChem CID 123149994) has the molecular formula C24H35N7O and a molecular weight of 437.59 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)-1-(2-piperazin-1-ylethyl)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)-1-(2-piperazin-1-ylethyl)imidazo[4,5-c]quinoline
PubChem CID123149994
Molecular FormulaC24H35N7O
Molecular Weight437.59 g/mol
Exact Mass437.29
IUPAC Name2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)-1-(2-piperazin-1-ylethyl)imidazo[4,5-c]quinoline
SMILESCCOCc1nc2c(N3CCN(C)CC3)nc3ccccc3c2n1CCN1CCNCC1
InChIInChI=1S/C24H35N7O/c1-3-32-18-21-27-22-23(31(21)17-14-29-10-8-25-9-11-29)19-6-4-5-7-20(19)26-24(22)30-15-12-28(2)13-16-30/h4-7,25H,3,8-18H2,1-2H3
InChIKeySZWKUDIZEQKCCC-UHFFFAOYSA-N
XLogP1.78
TPSA61.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)-1-(2-piperazin-1-ylethyl)imidazo[4,5-c]quinoline with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)-1-(2-piperazin-1-ylethyl)imidazo[4,5-c]quinoline?
The IUPAC name of 2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)-1-(2-piperazin-1-ylethyl)imidazo[4,5-c]quinoline (CID 123149994) is 2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)-1-(2-piperazin-1-ylethyl)imidazo[4,5-c]quinoline.
What is the SMILES notation for 2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)-1-(2-piperazin-1-ylethyl)imidazo[4,5-c]quinoline?
The canonical SMILES for 2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)-1-(2-piperazin-1-ylethyl)imidazo[4,5-c]quinoline is CCOCc1nc2c(N3CCN(C)CC3)nc3ccccc3c2n1CCN1CCNCC1.
What is the InChIKey of 2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)-1-(2-piperazin-1-ylethyl)imidazo[4,5-c]quinoline?
The InChIKey is SZWKUDIZEQKCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7O/c1-3-32-18-21-27-22-23(31(21)17-14-29-10-8-25-9-11-29)19-6-4-5-7-20(19)26-24(22)30-15-12-28(2)13-16-30/h4-7,25H,3,8-18H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)-1-(2-piperazin-1-ylethyl)imidazo[4,5-c]quinoline?
2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)-1-(2-piperazin-1-ylethyl)imidazo[4,5-c]quinoline has a molecular weight of 437.59 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-(4-methylpiperazin-1-yl)-1-(2-piperazin-1-ylethyl)imidazo[4,5-c]quinoline is sourced from PubChem (CID 123149994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).