[4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinolin-7-yl]methanol;ethane

C27H37N5O — CID 170766172

IUPAC[4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinolin-7-yl]methanol;ethane
SMILESCC.CCCCc1nc2c(N)nc3cc(CO)ccc3c2n1CCc1ccc(CNC)cc1
InChIInChI=1S/C25H31N5O.C2H6/c1-3-4-5-22-29-23-24(20-11-10-19(16-31)14-21(20)28-25(23)26)30(22)13-12-17-6-8-18(9-7-17)15-27-2;1-2/h6-11,14,27,31H,3-5,12-13,15-16H2,1-2H3,(H2,26,28);1-2H3
InChIKeyIHXZEKAZGVRXST-UHFFFAOYSA-N
MW447.63 g/mol
LogP4.99
Rot. Bonds9

About [4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinolin-7-yl]methanol;ethane

[4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinolin-7-yl]methanol;ethane (PubChem CID 170766172) has the molecular formula C27H37N5O and a molecular weight of 447.63 g/mol. Its IUPAC name is [4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinolin-7-yl]methanol;ethane.

Molecular Properties

Compound Name[4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinolin-7-yl]methanol;ethane
PubChem CID170766172
Molecular FormulaC27H37N5O
Molecular Weight447.63 g/mol
Exact Mass447.30
IUPAC Name[4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinolin-7-yl]methanol;ethane
SMILESCC.CCCCc1nc2c(N)nc3cc(CO)ccc3c2n1CCc1ccc(CNC)cc1
InChIInChI=1S/C25H31N5O.C2H6/c1-3-4-5-22-29-23-24(20-11-10-19(16-31)14-21(20)28-25(23)26)30(22)13-12-17-6-8-18(9-7-17)15-27-2;1-2/h6-11,14,27,31H,3-5,12-13,15-16H2,1-2H3,(H2,26,28);1-2H3
InChIKeyIHXZEKAZGVRXST-UHFFFAOYSA-N
XLogP4.99
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.63
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinolin-7-yl]methanol;ethane with MolForge

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Related Compounds

4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinoline-7-carboxylic acid
CID 170766181
7-N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]quinoline-4,7-diamine;ethane
CID 169185513
1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea
CID 18616841
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
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-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 2-[4-[[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propylamino]methyl]phenyl]acetate
CID 25106601
2-butyl-1-[[4-[(nonadecylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138618993
2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 134510359

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinolin-7-yl]methanol;ethane?
The IUPAC name of [4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinolin-7-yl]methanol;ethane (CID 170766172) is [4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinolin-7-yl]methanol;ethane.
What is the SMILES notation for [4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinolin-7-yl]methanol;ethane?
The canonical SMILES for [4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinolin-7-yl]methanol;ethane is CC.CCCCc1nc2c(N)nc3cc(CO)ccc3c2n1CCc1ccc(CNC)cc1.
What is the InChIKey of [4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinolin-7-yl]methanol;ethane?
The InChIKey is IHXZEKAZGVRXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O.C2H6/c1-3-4-5-22-29-23-24(20-11-10-19(16-31)14-21(20)28-25(23)26)30(22)13-12-17-6-8-18(9-7-17)15-27-2;1-2/h6-11,14,27,31H,3-5,12-13,15-16H2,1-2H3,(H2,26,28);1-2H3.
What are the key properties of [4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinolin-7-yl]methanol;ethane?
[4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinolin-7-yl]methanol;ethane has a molecular weight of 447.63 g/mol, XLogP of 4.99, 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]quinolin-7-yl]methanol;ethane is sourced from PubChem (CID 170766172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).