2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine

C23H26N4 — CID 134510359

IUPAC2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CC)cc1
InChIInChI=1S/C23H26N4/c1-3-5-10-20-26-21-22(18-8-6-7-9-19(18)25-23(21)24)27(20)15-17-13-11-16(4-2)12-14-17/h6-9,11-14H,3-5,10,15H2,1-2H3,(H2,24,25)
InChIKeyJNZNPENZZWTBHK-UHFFFAOYSA-N
MW358.49 g/mol
LogP5.12
Rot. Bonds6

About 2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine

2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 134510359) has the molecular formula C23H26N4 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID134510359
Molecular FormulaC23H26N4
Molecular Weight358.49 g/mol
Exact Mass358.22
IUPAC Name2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CC)cc1
InChIInChI=1S/C23H26N4/c1-3-5-10-20-26-21-22(18-8-6-7-9-19(18)25-23(21)24)27(20)15-17-13-11-16(4-2)12-14-17/h6-9,11-14H,3-5,10,15H2,1-2H3,(H2,24,25)
InChIKeyJNZNPENZZWTBHK-UHFFFAOYSA-N
XLogP5.12
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-1-[(4-nitrophenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 90146175
2-butyl-1-(furan-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376202
2-butyl-1-[[4-[(nonadecylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138618993
2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376197
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
2-butyl-1-[(3-phenoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 164926465
2-butyl-1-[4-[(4-ethylphenyl)methyl-methylamino]butyl]imidazo[4,5-c]quinolin-4-amine
CID 167298983
tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 71472212
2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]benzene-1,4-diol
CID 153143132
1-(2-methylpropyl)-2-pentylimidazo[4,5-c]quinolin-4-amine
CID 11185992
N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylhexadecanamide
CID 138645202
N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butyloctadecanamide
CID 138645359

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine (CID 134510359) is 2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CC)cc1.
What is the InChIKey of 2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is JNZNPENZZWTBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4/c1-3-5-10-20-26-21-22(18-8-6-7-9-19(18)25-23(21)24)27(20)15-17-13-11-16(4-2)12-14-17/h6-9,11-14H,3-5,10,15H2,1-2H3,(H2,24,25).
What are the key properties of 2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine?
2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 358.49 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 134510359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).