2-cyclopentyl-N-phenyl-3H-imidazo[4,5-c]quinolin-4-amine

C21H20N4 — CID 10426659

IUPAC2-cyclopentyl-N-phenyl-3H-imidazo[4,5-c]quinolin-4-amine
SMILESc1ccc(Nc2nc3ccccc3c3nc(C4CCCC4)[nH]c23)cc1
InChIInChI=1S/C21H20N4/c1-2-10-15(11-3-1)22-21-19-18(16-12-6-7-13-17(16)23-21)24-20(25-19)14-8-4-5-9-14/h1-3,6-7,10-14H,4-5,8-9H2,(H,22,23)(H,24,25)
InChIKeyVUYDJBYOJKYWBY-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.51
Rot. Bonds3

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

2-cyclopentyl-N-phenyl-3H-imidazo[4,5-c]quinolin-4-amine (PubChem CID 10426659) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-cyclopentyl-N-phenyl-3H-imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-cyclopentyl-N-phenyl-3H-imidazo[4,5-c]quinolin-4-amine
PubChem CID10426659
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC Name2-cyclopentyl-N-phenyl-3H-imidazo[4,5-c]quinolin-4-amine
SMILESc1ccc(Nc2nc3ccccc3c3nc(C4CCCC4)[nH]c23)cc1
InChIInChI=1S/C21H20N4/c1-2-10-15(11-3-1)22-21-19-18(16-12-6-7-13-17(16)23-21)24-20(25-19)14-8-4-5-9-14/h1-3,6-7,10-14H,4-5,8-9H2,(H,22,23)(H,24,25)
InChIKeyVUYDJBYOJKYWBY-UHFFFAOYSA-N
XLogP5.51
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-phenyl-3H-imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-cyclopentyl-N-phenyl-3H-imidazo[4,5-c]quinolin-4-amine (CID 10426659) is 2-cyclopentyl-N-phenyl-3H-imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-cyclopentyl-N-phenyl-3H-imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-cyclopentyl-N-phenyl-3H-imidazo[4,5-c]quinolin-4-amine is c1ccc(Nc2nc3ccccc3c3nc(C4CCCC4)[nH]c23)cc1.
What is the InChIKey of 2-cyclopentyl-N-phenyl-3H-imidazo[4,5-c]quinolin-4-amine?
The InChIKey is VUYDJBYOJKYWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-2-10-15(11-3-1)22-21-19-18(16-12-6-7-13-17(16)23-21)24-20(25-19)14-8-4-5-9-14/h1-3,6-7,10-14H,4-5,8-9H2,(H,22,23)(H,24,25).
What are the key properties of 2-cyclopentyl-N-phenyl-3H-imidazo[4,5-c]quinolin-4-amine?
2-cyclopentyl-N-phenyl-3H-imidazo[4,5-c]quinolin-4-amine has a molecular weight of 328.42 g/mol, XLogP of 5.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-phenyl-3H-imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 10426659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).