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

C22H22N4O — CID 11602914

IUPAC2-cyclopentyl-N-(4-methoxyphenyl)-3H-imidazo[4,5-c]quinolin-4-amine
SMILESCOc1ccc(Nc2nc3ccccc3c3nc(C4CCCC4)[nH]c23)cc1
InChIInChI=1S/C22H22N4O/c1-27-16-12-10-15(11-13-16)23-22-20-19(17-8-4-5-9-18(17)24-22)25-21(26-20)14-6-2-3-7-14/h4-5,8-14H,2-3,6-7H2,1H3,(H,23,24)(H,25,26)
InChIKeyYJOOJLDFTONSNI-UHFFFAOYSA-N
MW358.45 g/mol
LogP5.52
Rot. Bonds4

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

2-cyclopentyl-N-(4-methoxyphenyl)-3H-imidazo[4,5-c]quinolin-4-amine (PubChem CID 11602914) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-cyclopentyl-N-(4-methoxyphenyl)-3H-imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-cyclopentyl-N-(4-methoxyphenyl)-3H-imidazo[4,5-c]quinolin-4-amine
PubChem CID11602914
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name2-cyclopentyl-N-(4-methoxyphenyl)-3H-imidazo[4,5-c]quinolin-4-amine
SMILESCOc1ccc(Nc2nc3ccccc3c3nc(C4CCCC4)[nH]c23)cc1
InChIInChI=1S/C22H22N4O/c1-27-16-12-10-15(11-13-16)23-22-20-19(17-8-4-5-9-18(17)24-22)25-21(26-20)14-6-2-3-7-14/h4-5,8-14H,2-3,6-7H2,1H3,(H,23,24)(H,25,26)
InChIKeyYJOOJLDFTONSNI-UHFFFAOYSA-N
XLogP5.52
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.45
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(4-methoxyphenyl)-3H-imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-cyclopentyl-N-(4-methoxyphenyl)-3H-imidazo[4,5-c]quinolin-4-amine (CID 11602914) is 2-cyclopentyl-N-(4-methoxyphenyl)-3H-imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-cyclopentyl-N-(4-methoxyphenyl)-3H-imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-cyclopentyl-N-(4-methoxyphenyl)-3H-imidazo[4,5-c]quinolin-4-amine is COc1ccc(Nc2nc3ccccc3c3nc(C4CCCC4)[nH]c23)cc1.
What is the InChIKey of 2-cyclopentyl-N-(4-methoxyphenyl)-3H-imidazo[4,5-c]quinolin-4-amine?
The InChIKey is YJOOJLDFTONSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-27-16-12-10-15(11-13-16)23-22-20-19(17-8-4-5-9-18(17)24-22)25-21(26-20)14-6-2-3-7-14/h4-5,8-14H,2-3,6-7H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-cyclopentyl-N-(4-methoxyphenyl)-3H-imidazo[4,5-c]quinolin-4-amine?
2-cyclopentyl-N-(4-methoxyphenyl)-3H-imidazo[4,5-c]quinolin-4-amine has a molecular weight of 358.45 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(4-methoxyphenyl)-3H-imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 11602914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).