8-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]-1-[4-(dimethylamino)butyl]imidazo[4,5-c]quinolin-4-amine

C29H38BrN5O2 — CID 155140235

IUPAC8-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]-1-[4-(dimethylamino)butyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(NCc3ccc(OC)cc3OC)nc3ccc(Br)cc3c2n1CCCCN(C)C
InChIInChI=1S/C29H38BrN5O2/c1-6-7-10-26-33-27-28(35(26)16-9-8-15-34(2)3)23-17-21(30)12-14-24(23)32-29(27)31-19-20-11-13-22(36-4)18-25(20)37-5/h11-14,17-18H,6-10,15-16,19H2,1-5H3,(H,31,32)
InChIKeyLQYKRWODUKTLMZ-UHFFFAOYSA-N
MW568.56 g/mol
LogP6.66
Rot. Bonds13

About 8-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]-1-[4-(dimethylamino)butyl]imidazo[4,5-c]quinolin-4-amine

8-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]-1-[4-(dimethylamino)butyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 155140235) has the molecular formula C29H38BrN5O2 and a molecular weight of 568.56 g/mol. Its IUPAC name is 8-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]-1-[4-(dimethylamino)butyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name8-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]-1-[4-(dimethylamino)butyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID155140235
Molecular FormulaC29H38BrN5O2
Molecular Weight568.56 g/mol
Exact Mass567.22
IUPAC Name8-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]-1-[4-(dimethylamino)butyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(NCc3ccc(OC)cc3OC)nc3ccc(Br)cc3c2n1CCCCN(C)C
InChIInChI=1S/C29H38BrN5O2/c1-6-7-10-26-33-27-28(35(26)16-9-8-15-34(2)3)23-17-21(30)12-14-24(23)32-29(27)31-19-20-11-13-22(36-4)18-25(20)37-5/h11-14,17-18H,6-10,15-16,19H2,1-5H3,(H,31,32)
InChIKeyLQYKRWODUKTLMZ-UHFFFAOYSA-N
XLogP6.66
TPSA64.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.56
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 8-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]-1-[4-(dimethylamino)butyl]imidazo[4,5-c]quinolin-4-amine 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 8-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]-1-[4-(dimethylamino)butyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 8-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]-1-[4-(dimethylamino)butyl]imidazo[4,5-c]quinolin-4-amine (CID 155140235) is 8-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]-1-[4-(dimethylamino)butyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 8-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]-1-[4-(dimethylamino)butyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 8-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]-1-[4-(dimethylamino)butyl]imidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c(NCc3ccc(OC)cc3OC)nc3ccc(Br)cc3c2n1CCCCN(C)C.
What is the InChIKey of 8-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]-1-[4-(dimethylamino)butyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is LQYKRWODUKTLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38BrN5O2/c1-6-7-10-26-33-27-28(35(26)16-9-8-15-34(2)3)23-17-21(30)12-14-24(23)32-29(27)31-19-20-11-13-22(36-4)18-25(20)37-5/h11-14,17-18H,6-10,15-16,19H2,1-5H3,(H,31,32).
What are the key properties of 8-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]-1-[4-(dimethylamino)butyl]imidazo[4,5-c]quinolin-4-amine?
8-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]-1-[4-(dimethylamino)butyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 568.56 g/mol, XLogP of 6.66, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]-1-[4-(dimethylamino)butyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 155140235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).