2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-7-hexylimidazo[4,5-c]quinoline;5-[2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]pentanenitrile

C77H93N7O8 — CID 165017165

IUPAC2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-7-hexylimidazo[4,5-c]quinoline;5-[2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]pentanenitrile
SMILESCCCCCCc1ccc2c(c1)nc(CCc1ccc(OC)cc1OC)c1nc(CCCC)n(Cc3ccc(OC)cc3OC)c12.CCCCc1nc2c(CCc3ccc(OC)cc3OC)nc3cc(CCCCC#N)ccc3c2n1Cc1ccc(OC)cc1OC
InChIInChI=1S/C39H49N3O4.C38H44N4O4/c1-7-9-11-12-13-27-15-21-32-34(23-27)40-33(22-18-28-16-19-30(43-3)24-35(28)45-5)38-39(32)42(37(41-38)14-10-8-2)26-29-17-20-31(44-4)25-36(29)46-6;1-6-7-12-36-41-37-32(20-16-27-14-17-29(43-2)23-34(27)45-4)40-33-22-26(11-9-8-10-21-39)13-19-31(33)38(37)42(36)25-28-15-18-30(44-3)24-35(28)46-5/h15-17,19-21,23-25H,7-14,18,22,26H2,1-6H3;13-15,17-19,22-24H,6-12,16,20,25H2,1-5H3
InChIKeyKPIIMTBXFPOSRI-UHFFFAOYSA-N
MW1244.63 g/mol
LogP16.95
Rot. Bonds33

About 2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-7-hexylimidazo[4,5-c]quinoline;5-[2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]pentanenitrile

2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-7-hexylimidazo[4,5-c]quinoline;5-[2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]pentanenitrile (PubChem CID 165017165) has the molecular formula C77H93N7O8 and a molecular weight of 1244.63 g/mol. Its IUPAC name is 2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-7-hexylimidazo[4,5-c]quinoline;5-[2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]pentanenitrile.

Molecular Properties

Compound Name2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-7-hexylimidazo[4,5-c]quinoline;5-[2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]pentanenitrile
PubChem CID165017165
Molecular FormulaC77H93N7O8
Molecular Weight1244.63 g/mol
Exact Mass1243.71
IUPAC Name2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-7-hexylimidazo[4,5-c]quinoline;5-[2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]pentanenitrile
SMILESCCCCCCc1ccc2c(c1)nc(CCc1ccc(OC)cc1OC)c1nc(CCCC)n(Cc3ccc(OC)cc3OC)c12.CCCCc1nc2c(CCc3ccc(OC)cc3OC)nc3cc(CCCCC#N)ccc3c2n1Cc1ccc(OC)cc1OC
InChIInChI=1S/C39H49N3O4.C38H44N4O4/c1-7-9-11-12-13-27-15-21-32-34(23-27)40-33(22-18-28-16-19-30(43-3)24-35(28)45-5)38-39(32)42(37(41-38)14-10-8-2)26-29-17-20-31(44-4)25-36(29)46-6;1-6-7-12-36-41-37-32(20-16-27-14-17-29(43-2)23-34(27)45-4)40-33-22-26(11-9-8-10-21-39)13-19-31(33)38(37)42(36)25-28-15-18-30(44-3)24-35(28)46-5/h15-17,19-21,23-25H,7-14,18,22,26H2,1-6H3;13-15,17-19,22-24H,6-12,16,20,25H2,1-5H3
InChIKeyKPIIMTBXFPOSRI-UHFFFAOYSA-N
XLogP16.95
TPSA159.05 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds33
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001244.63
LogP ≤ 516.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-7-hexylimidazo[4,5-c]quinoline;5-[2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]pentanenitrile with MolForge

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Related Compounds

5-[2-butyl-4-(2,4-dimethoxyanilino)-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]pentanenitrile
CID 155128391
7-bromo-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinoline
CID 155128406
1-decyl-2,4-dimethoxybenzene
CID 524862
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
5-(4-bromophenyl)-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]-4-ethylimidazole
CID 155696656
5-(4-methoxy-3-methylphenyl)pentanenitrile
CID 96657164
3-[[7-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-3-yl]methyl]benzaldehyde
CID 164855546
7-bromo-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinoline;7-bromo-4-N-[(2,4-dimethoxyphenyl)methyl]quinoline-3,4-diamine;2-ethoxy-2-methylhexane
CID 158158698
2-butyl-1-[(4-methoxyphenyl)methyl]-7-(3-methylbutyl)imidazo[4,5-d]pyridazin-4-amine
CID 164855591
1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene
CID 54567492
3-[(2,4-dimethoxyphenyl)methylamino]propanenitrile
CID 28728146
4-(3-ethyl-4-methoxyphenyl)butanenitrile
CID 96657172

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-7-hexylimidazo[4,5-c]quinoline;5-[2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]pentanenitrile?
The IUPAC name of 2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-7-hexylimidazo[4,5-c]quinoline;5-[2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]pentanenitrile (CID 165017165) is 2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-7-hexylimidazo[4,5-c]quinoline;5-[2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]pentanenitrile.
What is the SMILES notation for 2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-7-hexylimidazo[4,5-c]quinoline;5-[2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]pentanenitrile?
The canonical SMILES for 2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-7-hexylimidazo[4,5-c]quinoline;5-[2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]pentanenitrile is CCCCCCc1ccc2c(c1)nc(CCc1ccc(OC)cc1OC)c1nc(CCCC)n(Cc3ccc(OC)cc3OC)c12.CCCCc1nc2c(CCc3ccc(OC)cc3OC)nc3cc(CCCCC#N)ccc3c2n1Cc1ccc(OC)cc1OC.
What is the InChIKey of 2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-7-hexylimidazo[4,5-c]quinoline;5-[2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]pentanenitrile?
The InChIKey is KPIIMTBXFPOSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H49N3O4.C38H44N4O4/c1-7-9-11-12-13-27-15-21-32-34(23-27)40-33(22-18-28-16-19-30(43-3)24-35(28)45-5)38-39(32)42(37(41-38)14-10-8-2)26-29-17-20-31(44-4)25-36(29)46-6;1-6-7-12-36-41-37-32(20-16-27-14-17-29(43-2)23-34(27)45-4)40-33-22-26(11-9-8-10-21-39)13-19-31(33)38(37)42(36)25-28-15-18-30(44-3)24-35(28)46-5/h15-17,19-21,23-25H,7-14,18,22,26H2,1-6H3;13-15,17-19,22-24H,6-12,16,20,25H2,1-5H3.
What are the key properties of 2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-7-hexylimidazo[4,5-c]quinoline;5-[2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]pentanenitrile?
2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-7-hexylimidazo[4,5-c]quinoline;5-[2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]pentanenitrile has a molecular weight of 1244.63 g/mol, XLogP of 16.95, 33 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-7-hexylimidazo[4,5-c]quinoline;5-[2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]pentanenitrile is sourced from PubChem (CID 165017165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).