methyl 2-butyl-1-[5-(dimethylamino)pentyl]-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylate

C24H35N5O2 — CID 170766247

IUPACmethyl 2-butyl-1-[5-(dimethylamino)pentyl]-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCc1nc2c(NC)nc3cc(C(=O)OC)ccc3c2n1CCCCCN(C)C
InChIInChI=1S/C24H35N5O2/c1-6-7-11-20-27-21-22(29(20)15-10-8-9-14-28(3)4)18-13-12-17(24(30)31-5)16-19(18)26-23(21)25-2/h12-13,16H,6-11,14-15H2,1-5H3,(H,25,26)
InChIKeyQOMGYIAXYAXDCX-UHFFFAOYSA-N
MW425.58 g/mol
LogP4.49
Rot. Bonds11

About methyl 2-butyl-1-[5-(dimethylamino)pentyl]-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylate

methyl 2-butyl-1-[5-(dimethylamino)pentyl]-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylate (PubChem CID 170766247) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is methyl 2-butyl-1-[5-(dimethylamino)pentyl]-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-butyl-1-[5-(dimethylamino)pentyl]-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylate
PubChem CID170766247
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC Namemethyl 2-butyl-1-[5-(dimethylamino)pentyl]-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCc1nc2c(NC)nc3cc(C(=O)OC)ccc3c2n1CCCCCN(C)C
InChIInChI=1S/C24H35N5O2/c1-6-7-11-20-27-21-22(29(20)15-10-8-9-14-28(3)4)18-13-12-17(24(30)31-5)16-19(18)26-23(21)25-2/h12-13,16H,6-11,14-15H2,1-5H3,(H,25,26)
InChIKeyQOMGYIAXYAXDCX-UHFFFAOYSA-N
XLogP4.49
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-amino-2-butyl-1-[2-(dimethylamino)ethyl]imidazo[4,5-c]quinoline-7-carboxylate
CID 171647408
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-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate
CID 130289625
methyl 1-(2-acetyloxypropyl)-4-amino-2-butylimidazo[4,5-c]quinoline-7-carboxylate
CID 130290425
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
methyl 4-amino-2-butyl-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate
CID 130289829
2-butyl-4-(methylamino)-1-[3-(phenylsulfanylamino)propyl]imidazo[4,5-c]quinoline-7-carbaldehyde;ethane;methanol
CID 170766160
1-[[4-(aminomethyl)phenyl]methyl]-2-(2-methoxyethyl)-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylic acid
CID 170766178

Frequently Asked Questions

What is the IUPAC name of methyl 2-butyl-1-[5-(dimethylamino)pentyl]-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylate?
The IUPAC name of methyl 2-butyl-1-[5-(dimethylamino)pentyl]-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylate (CID 170766247) is methyl 2-butyl-1-[5-(dimethylamino)pentyl]-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylate.
What is the SMILES notation for methyl 2-butyl-1-[5-(dimethylamino)pentyl]-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylate?
The canonical SMILES for methyl 2-butyl-1-[5-(dimethylamino)pentyl]-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylate is CCCCc1nc2c(NC)nc3cc(C(=O)OC)ccc3c2n1CCCCCN(C)C.
What is the InChIKey of methyl 2-butyl-1-[5-(dimethylamino)pentyl]-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylate?
The InChIKey is QOMGYIAXYAXDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-6-7-11-20-27-21-22(29(20)15-10-8-9-14-28(3)4)18-13-12-17(24(30)31-5)16-19(18)26-23(21)25-2/h12-13,16H,6-11,14-15H2,1-5H3,(H,25,26).
What are the key properties of methyl 2-butyl-1-[5-(dimethylamino)pentyl]-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylate?
methyl 2-butyl-1-[5-(dimethylamino)pentyl]-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylate has a molecular weight of 425.58 g/mol, XLogP of 4.49, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-butyl-1-[5-(dimethylamino)pentyl]-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylate is sourced from PubChem (CID 170766247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).