1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinolin-4-amine

C21H29N5O — CID 10270339

IUPAC1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinolin-4-amine
SMILESCCC(COCCC1CCNCC1)n1cnc2c(N)nc3ccccc3c21
InChIInChI=1S/C21H29N5O/c1-2-16(13-27-12-9-15-7-10-23-11-8-15)26-14-24-19-20(26)17-5-3-4-6-18(17)25-21(19)22/h3-6,14-16,23H,2,7-13H2,1H3,(H2,22,25)
InChIKeyBHQIDZVUPSXYID-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.52
Rot. Bonds7

About 1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinolin-4-amine

1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 10270339) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinolin-4-amine
PubChem CID10270339
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinolin-4-amine
SMILESCCC(COCCC1CCNCC1)n1cnc2c(N)nc3ccccc3c21
InChIInChI=1S/C21H29N5O/c1-2-16(13-27-12-9-15-7-10-23-11-8-15)26-14-24-19-20(26)17-5-3-4-6-18(17)25-21(19)22/h3-6,14-16,23H,2,7-13H2,1H3,(H2,22,25)
InChIKeyBHQIDZVUPSXYID-UHFFFAOYSA-N
XLogP3.52
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinolin-4-amine (CID 10270339) is 1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinolin-4-amine is CCC(COCCC1CCNCC1)n1cnc2c(N)nc3ccccc3c21.
What is the InChIKey of 1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is BHQIDZVUPSXYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-2-16(13-27-12-9-15-7-10-23-11-8-15)26-14-24-19-20(26)17-5-3-4-6-18(17)25-21(19)22/h3-6,14-16,23H,2,7-13H2,1H3,(H2,22,25).
What are the key properties of 1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinolin-4-amine?
1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 367.50 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 10270339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).