4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinoline-7-carboxylic acid

C25H29N5O2 — CID 170766181

IUPAC4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinoline-7-carboxylic acid
SMILESCCCCc1nc2c(N)nc3cc(C(=O)O)ccc3c2n1CCc1ccc(CNC)cc1
InChIInChI=1S/C25H29N5O2/c1-3-4-5-21-29-22-23(19-11-10-18(25(31)32)14-20(19)28-24(22)26)30(21)13-12-16-6-8-17(9-7-16)15-27-2/h6-11,14,27H,3-5,12-13,15H2,1-2H3,(H2,26,28)(H,31,32)
InChIKeyGVONRQSTRPIRLO-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.17
Rot. Bonds9

About 4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinoline-7-carboxylic acid

4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinoline-7-carboxylic acid (PubChem CID 170766181) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinoline-7-carboxylic acid
PubChem CID170766181
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinoline-7-carboxylic acid
SMILESCCCCc1nc2c(N)nc3cc(C(=O)O)ccc3c2n1CCc1ccc(CNC)cc1
InChIInChI=1S/C25H29N5O2/c1-3-4-5-21-29-22-23(19-11-10-18(25(31)32)14-20(19)28-24(22)26)30(21)13-12-16-6-8-17(9-7-16)15-27-2/h6-11,14,27H,3-5,12-13,15H2,1-2H3,(H2,26,28)(H,31,32)
InChIKeyGVONRQSTRPIRLO-UHFFFAOYSA-N
XLogP4.17
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinolin-7-yl]methanol;ethane
CID 170766172
4-amino-2-butyl-1-[[4-[(dimethylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylic acid
CID 164869581
2-butyl-1-(4-hydroxybutyl)-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylic acid
CID 170766222
methyl 4-amino-2-butyl-1-(4-methoxy-4-oxobutyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 130289627
methyl 4-amino-2-butyl-1-(5-methoxy-5-oxopentyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 130289685
methyl 4-amino-2-butyl-1-(2-methylsulfanylethyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 130289620
methyl 4-amino-2-butyl-1-[2-(dimethylamino)ethyl]imidazo[4,5-c]quinoline-7-carboxylate
CID 171647408
methyl 4-amino-2-butyl-1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate
CID 130289691
methyl 4-amino-2-butyl-1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate
CID 164869569
1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea
CID 18616841
methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate
CID 130289625
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinoline-7-carboxylic acid?
The IUPAC name of 4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinoline-7-carboxylic acid (CID 170766181) is 4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinoline-7-carboxylic acid.
What is the SMILES notation for 4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinoline-7-carboxylic acid?
The canonical SMILES for 4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinoline-7-carboxylic acid is CCCCc1nc2c(N)nc3cc(C(=O)O)ccc3c2n1CCc1ccc(CNC)cc1.
What is the InChIKey of 4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinoline-7-carboxylic acid?
The InChIKey is GVONRQSTRPIRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-3-4-5-21-29-22-23(19-11-10-18(25(31)32)14-20(19)28-24(22)26)30(21)13-12-16-6-8-17(9-7-16)15-27-2/h6-11,14,27H,3-5,12-13,15H2,1-2H3,(H2,26,28)(H,31,32).
What are the key properties of 4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinoline-7-carboxylic acid?
4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinoline-7-carboxylic acid has a molecular weight of 431.54 g/mol, XLogP of 4.17, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinoline-7-carboxylic acid is sourced from PubChem (CID 170766181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).