3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline

C26H22N6 — CID 118496023

IUPAC3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline
SMILESCn1c(C2CCC2c2nc3c4cccnc4ccc3n2C)nc2c3cccnc3ccc21
InChIInChI=1S/C26H22N6/c1-31-21-11-9-19-17(5-3-13-27-19)23(21)29-25(31)15-7-8-16(15)26-30-24-18-6-4-14-28-20(18)10-12-22(24)32(26)2/h3-6,9-16H,7-8H2,1-2H3
InChIKeyLUDXDPGQCQNGSV-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.22
Rot. Bonds2

About 3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline

3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline (PubChem CID 118496023) has the molecular formula C26H22N6 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline.

Molecular Properties

Compound Name3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline
PubChem CID118496023
Molecular FormulaC26H22N6
Molecular Weight418.50 g/mol
Exact Mass418.19
IUPAC Name3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline
SMILESCn1c(C2CCC2c2nc3c4cccnc4ccc3n2C)nc2c3cccnc3ccc21
InChIInChI=1S/C26H22N6/c1-31-21-11-9-19-17(5-3-13-27-19)23(21)29-25(31)15-7-8-16(15)26-30-24-18-6-4-14-28-20(18)10-12-22(24)32(26)2/h3-6,9-16H,7-8H2,1-2H3
InChIKeyLUDXDPGQCQNGSV-UHFFFAOYSA-N
XLogP5.22
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline?
The IUPAC name of 3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline (CID 118496023) is 3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline.
What is the SMILES notation for 3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline?
The canonical SMILES for 3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline is Cn1c(C2CCC2c2nc3c4cccnc4ccc3n2C)nc2c3cccnc3ccc21.
What is the InChIKey of 3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline?
The InChIKey is LUDXDPGQCQNGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6/c1-31-21-11-9-19-17(5-3-13-27-19)23(21)29-25(31)15-7-8-16(15)26-30-24-18-6-4-14-28-20(18)10-12-22(24)32(26)2/h3-6,9-16H,7-8H2,1-2H3.
What are the key properties of 3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline?
3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline has a molecular weight of 418.50 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)cyclobutyl]imidazo[4,5-f]quinoline is sourced from PubChem (CID 118496023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).