methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate

C28H33N5O3 — CID 130289625

IUPACmethyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(C(=O)N(CC)CC)cc1
InChIInChI=1S/C28H33N5O3/c1-5-8-9-23-31-24-25(21-15-14-20(28(35)36-4)16-22(21)30-26(24)29)33(23)17-18-10-12-19(13-11-18)27(34)32(6-2)7-3/h10-16H,5-9,17H2,1-4H3,(H2,29,30)
InChIKeyOJSSGKAVEBFVRB-UHFFFAOYSA-N
MW487.60 g/mol
LogP4.83
Rot. Bonds9

About methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate

methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate (PubChem CID 130289625) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate
PubChem CID130289625
Molecular FormulaC28H33N5O3
Molecular Weight487.60 g/mol
Exact Mass487.26
IUPAC Namemethyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(C(=O)N(CC)CC)cc1
InChIInChI=1S/C28H33N5O3/c1-5-8-9-23-31-24-25(21-15-14-20(28(35)36-4)16-22(21)30-26(24)29)33(23)17-18-10-12-19(13-11-18)27(34)32(6-2)7-3/h10-16H,5-9,17H2,1-4H3,(H2,29,30)
InChIKeyOJSSGKAVEBFVRB-UHFFFAOYSA-N
XLogP4.83
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate with MolForge

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Related Compounds

methyl 4-amino-2-butyl-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate
CID 130289829
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-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate
CID 130289691
methyl 4-amino-2-butyl-1-[2-(dimethylamino)ethyl]imidazo[4,5-c]quinoline-7-carboxylate
CID 171647408
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-(4-methoxy-4-oxobutyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 130289627
methyl 4-amino-2-butyl-1-(2-methylsulfanylethyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 130289620
4-amino-2-butyl-1-[[4-[(dimethylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylic acid
CID 164869581
methyl 1-(2-acetyloxypropyl)-4-amino-2-butylimidazo[4,5-c]quinoline-7-carboxylate
CID 130290425
2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 134510359
4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinoline-7-carboxylic acid
CID 170766181
tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 71472212

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate?
The IUPAC name of methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate (CID 130289625) is methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate.
What is the SMILES notation for methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate?
The canonical SMILES for methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate is CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(C(=O)N(CC)CC)cc1.
What is the InChIKey of methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate?
The InChIKey is OJSSGKAVEBFVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-5-8-9-23-31-24-25(21-15-14-20(28(35)36-4)16-22(21)30-26(24)29)33(23)17-18-10-12-19(13-11-18)27(34)32(6-2)7-3/h10-16H,5-9,17H2,1-4H3,(H2,29,30).
What are the key properties of methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate?
methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate has a molecular weight of 487.60 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate is sourced from PubChem (CID 130289625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).