2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine

C20H21N5 — CID 177376197

IUPAC2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccnc1
InChIInChI=1S/C20H21N5/c1-2-3-10-17-24-18-19(25(17)13-14-7-6-11-22-12-14)15-8-4-5-9-16(15)23-20(18)21/h4-9,11-12H,2-3,10,13H2,1H3,(H2,21,23)
InChIKeyXCDUTYLTCZZYNK-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.95
Rot. Bonds5

About 2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine

2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine (PubChem CID 177376197) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
PubChem CID177376197
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccnc1
InChIInChI=1S/C20H21N5/c1-2-3-10-17-24-18-19(25(17)13-14-7-6-11-22-12-14)15-8-4-5-9-16(15)23-20(18)21/h4-9,11-12H,2-3,10,13H2,1H3,(H2,21,23)
InChIKeyXCDUTYLTCZZYNK-UHFFFAOYSA-N
XLogP3.95
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 134510359
2-butyl-1-[(3-phenoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 164926465
2-butyl-1-(furan-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376202
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
2-butyl-1-[(4-nitrophenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 90146175
2-butyl-1-[[4-[(nonadecylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138618993
2-butyl-1-[(E)-4-(1-pyridin-3-ylethylamino)but-2-enyl]imidazo[4,5-c]quinolin-4-amine
CID 177290926
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
3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol
CID 166933556
2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine
CID 170078321
2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 11739260

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine (CID 177376197) is 2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccnc1.
What is the InChIKey of 2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine?
The InChIKey is XCDUTYLTCZZYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-2-3-10-17-24-18-19(25(17)13-14-7-6-11-22-12-14)15-8-4-5-9-16(15)23-20(18)21/h4-9,11-12H,2-3,10,13H2,1H3,(H2,21,23).
What are the key properties of 2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine?
2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine has a molecular weight of 331.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 177376197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).