7-bromo-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinoline

C23H24BrN3O2 — CID 155128406

IUPAC7-bromo-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinoline
SMILESCCCCc1nc2cnc3cc(Br)ccc3c2n1Cc1ccc(OC)cc1OC
InChIInChI=1S/C23H24BrN3O2/c1-4-5-6-22-26-20-13-25-19-11-16(24)8-10-18(19)23(20)27(22)14-15-7-9-17(28-2)12-21(15)29-3/h7-13H,4-6,14H2,1-3H3
InChIKeyVWPMMJIQWSVZJX-UHFFFAOYSA-N
MW454.37 g/mol
LogP5.76
Rot. Bonds7

About 7-bromo-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinoline

7-bromo-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinoline (PubChem CID 155128406) has the molecular formula C23H24BrN3O2 and a molecular weight of 454.37 g/mol. Its IUPAC name is 7-bromo-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name7-bromo-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinoline
PubChem CID155128406
Molecular FormulaC23H24BrN3O2
Molecular Weight454.37 g/mol
Exact Mass453.11
IUPAC Name7-bromo-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinoline
SMILESCCCCc1nc2cnc3cc(Br)ccc3c2n1Cc1ccc(OC)cc1OC
InChIInChI=1S/C23H24BrN3O2/c1-4-5-6-22-26-20-13-25-19-11-16(24)8-10-18(19)23(20)27(22)14-15-7-9-17(28-2)12-21(15)29-3/h7-13H,4-6,14H2,1-3H3
InChIKeyVWPMMJIQWSVZJX-UHFFFAOYSA-N
XLogP5.76
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.37
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-(4-bromophenyl)-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]-4-ethylimidazole
CID 155696656
1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one
CID 137498167
4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butylcarbamic acid
CID 68822265
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
5-[2-butyl-4-(2,4-dimethoxyanilino)-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]pentanenitrile
CID 155128391
tert-butyl N-[4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate
CID 86593760
tert-butyl N-[4-(7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate
CID 154675670
2-butyl-1-(3-methylsulfonylpropyl)-7-phenylimidazo[4,5-c]quinoline
CID 141093830
1-decyl-2,4-dimethoxybenzene
CID 524862
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
2-butyl-3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]imidazole-4-carboxylic acid
CID 139628222

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinoline?
The IUPAC name of 7-bromo-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinoline (CID 155128406) is 7-bromo-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinoline.
What is the SMILES notation for 7-bromo-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinoline?
The canonical SMILES for 7-bromo-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinoline is CCCCc1nc2cnc3cc(Br)ccc3c2n1Cc1ccc(OC)cc1OC.
What is the InChIKey of 7-bromo-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinoline?
The InChIKey is VWPMMJIQWSVZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3O2/c1-4-5-6-22-26-20-13-25-19-11-16(24)8-10-18(19)23(20)27(22)14-15-7-9-17(28-2)12-21(15)29-3/h7-13H,4-6,14H2,1-3H3.
What are the key properties of 7-bromo-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinoline?
7-bromo-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinoline has a molecular weight of 454.37 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 155128406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).