1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine

C22H25N5 — CID 52944297

IUPAC1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccc(CN)c1
InChIInChI=1S/C22H25N5/c1-2-3-11-19-26-20-21(17-9-4-5-10-18(17)25-22(20)24)27(19)14-16-8-6-7-15(12-16)13-23/h4-10,12H,2-3,11,13-14,23H2,1H3,(H2,24,25)
InChIKeyAKLBWCHTGHQPMA-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.02
Rot. Bonds6

About 1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine

1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine (PubChem CID 52944297) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine
PubChem CID52944297
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccc(CN)c1
InChIInChI=1S/C22H25N5/c1-2-3-11-19-26-20-21(17-9-4-5-10-18(17)25-22(20)24)27(19)14-16-8-6-7-15(12-16)13-23/h4-10,12H,2-3,11,13-14,23H2,1H3,(H2,24,25)
InChIKeyAKLBWCHTGHQPMA-UHFFFAOYSA-N
XLogP4.02
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine (CID 52944297) is 1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccc(CN)c1.
What is the InChIKey of 1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine?
The InChIKey is AKLBWCHTGHQPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-2-3-11-19-26-20-21(17-9-4-5-10-18(17)25-22(20)24)27(19)14-16-8-6-7-15(12-16)13-23/h4-10,12H,2-3,11,13-14,23H2,1H3,(H2,24,25).
What are the key properties of 1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine?
1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine has a molecular weight of 359.48 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 52944297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).