2-cyclopentyl-N-(1-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine

C23H24N4 — CID 67026392

IUPAC2-cyclopentyl-N-(1-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine
SMILESCC(Nc1nc2ccccc2c2nc(C3CCCC3)[nH]c12)c1ccccc1
InChIInChI=1S/C23H24N4/c1-15(16-9-3-2-4-10-16)24-23-21-20(18-13-7-8-14-19(18)25-23)26-22(27-21)17-11-5-6-12-17/h2-4,7-10,13-15,17H,5-6,11-12H2,1H3,(H,24,25)(H,26,27)
InChIKeyBQDWAEMHGRRAQA-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.94
Rot. Bonds4

About 2-cyclopentyl-N-(1-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine

2-cyclopentyl-N-(1-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine (PubChem CID 67026392) has the molecular formula C23H24N4 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-cyclopentyl-N-(1-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-cyclopentyl-N-(1-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine
PubChem CID67026392
Molecular FormulaC23H24N4
Molecular Weight356.47 g/mol
Exact Mass356.20
IUPAC Name2-cyclopentyl-N-(1-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine
SMILESCC(Nc1nc2ccccc2c2nc(C3CCCC3)[nH]c12)c1ccccc1
InChIInChI=1S/C23H24N4/c1-15(16-9-3-2-4-10-16)24-23-21-20(18-13-7-8-14-19(18)25-23)26-22(27-21)17-11-5-6-12-17/h2-4,7-10,13-15,17H,5-6,11-12H2,1H3,(H,24,25)(H,26,27)
InChIKeyBQDWAEMHGRRAQA-UHFFFAOYSA-N
XLogP5.94
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(1-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-cyclopentyl-N-(1-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine (CID 67026392) is 2-cyclopentyl-N-(1-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-cyclopentyl-N-(1-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-cyclopentyl-N-(1-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine is CC(Nc1nc2ccccc2c2nc(C3CCCC3)[nH]c12)c1ccccc1.
What is the InChIKey of 2-cyclopentyl-N-(1-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine?
The InChIKey is BQDWAEMHGRRAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4/c1-15(16-9-3-2-4-10-16)24-23-21-20(18-13-7-8-14-19(18)25-23)26-22(27-21)17-11-5-6-12-17/h2-4,7-10,13-15,17H,5-6,11-12H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 2-cyclopentyl-N-(1-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine?
2-cyclopentyl-N-(1-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine has a molecular weight of 356.47 g/mol, XLogP of 5.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(1-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 67026392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).