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

C50H62Br2N6O5 — CID 158158698

IUPAC7-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
SMILESCCCCC(C)(C)OCC.CCCCc1nc2cnc3cc(Br)ccc3c2n1Cc1ccc(OC)cc1OC.COc1ccc(CNc2c(N)cnc3cc(Br)ccc23)c(OC)c1
InChIInChI=1S/C23H24BrN3O2.C18H18BrN3O2.C9H20O/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;1-23-13-5-3-11(17(8-13)24-2)9-22-18-14-6-4-12(19)7-16(14)21-10-15(18)20;1-5-7-8-9(3,4)10-6-2/h7-13H,4-6,14H2,1-3H3;3-8,10H,9,20H2,1-2H3,(H,21,22);5-8H2,1-4H3
InChIKeyFVZSJYMQINSWHS-UHFFFAOYSA-N
MW986.89 g/mol
LogP12.96
Rot. Bonds17

About 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

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 (PubChem CID 158158698) has the molecular formula C50H62Br2N6O5 and a molecular weight of 986.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID158158698
Molecular FormulaC50H62Br2N6O5
Molecular Weight986.89 g/mol
Exact Mass984.31
IUPAC Name7-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
SMILESCCCCC(C)(C)OCC.CCCCc1nc2cnc3cc(Br)ccc3c2n1Cc1ccc(OC)cc1OC.COc1ccc(CNc2c(N)cnc3cc(Br)ccc23)c(OC)c1
InChIInChI=1S/C23H24BrN3O2.C18H18BrN3O2.C9H20O/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;1-23-13-5-3-11(17(8-13)24-2)9-22-18-14-6-4-12(19)7-16(14)21-10-15(18)20;1-5-7-8-9(3,4)10-6-2/h7-13H,4-6,14H2,1-3H3;3-8,10H,9,20H2,1-2H3,(H,21,22);5-8H2,1-4H3
InChIKeyFVZSJYMQINSWHS-UHFFFAOYSA-N
XLogP12.96
TPSA127.80 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500986.89
LogP ≤ 512.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCC(C)(C)OCC.CCCCc1nc2cnc3cc(Br)ccc3c2n1Cc1ccc(OC)cc1OC.COc1ccc(CNc2c(N)cnc3cc(Br)ccc23)c(OC)c1.
What is the InChIKey of 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?
The InChIKey is FVZSJYMQINSWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3O2.C18H18BrN3O2.C9H20O/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;1-23-13-5-3-11(17(8-13)24-2)9-22-18-14-6-4-12(19)7-16(14)21-10-15(18)20;1-5-7-8-9(3,4)10-6-2/h7-13H,4-6,14H2,1-3H3;3-8,10H,9,20H2,1-2H3,(H,21,22);5-8H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 986.89 g/mol, XLogP of 12.96, 17 rotatable bonds, 2 hydrogen bond donors, and 11 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;7-bromo-4-N-[(2,4-dimethoxyphenyl)methyl]quinoline-3,4-diamine;2-ethoxy-2-methylhexane is sourced from PubChem (CID 158158698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).