N-(imidazo[1,2-a]quinolin-1-ylmethyl)pentan-1-amine

C17H21N3 — CID 70353959

IUPACN-(imidazo[1,2-a]quinolin-1-ylmethyl)pentan-1-amine
SMILESCCCCCNCc1cnc2ccc3ccccc3n12
InChIInChI=1S/C17H21N3/c1-2-3-6-11-18-12-15-13-19-17-10-9-14-7-4-5-8-16(14)20(15)17/h4-5,7-10,13,18H,2-3,6,11-12H2,1H3
InChIKeyQVTAVTKFCHQZAP-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.77
Rot. Bonds6

About N-(imidazo[1,2-a]quinolin-1-ylmethyl)pentan-1-amine

N-(imidazo[1,2-a]quinolin-1-ylmethyl)pentan-1-amine (PubChem CID 70353959) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-(imidazo[1,2-a]quinolin-1-ylmethyl)pentan-1-amine.

Molecular Properties

Compound NameN-(imidazo[1,2-a]quinolin-1-ylmethyl)pentan-1-amine
PubChem CID70353959
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-(imidazo[1,2-a]quinolin-1-ylmethyl)pentan-1-amine
SMILESCCCCCNCc1cnc2ccc3ccccc3n12
InChIInChI=1S/C17H21N3/c1-2-3-6-11-18-12-15-13-19-17-10-9-14-7-4-5-8-16(14)20(15)17/h4-5,7-10,13,18H,2-3,6,11-12H2,1H3
InChIKeyQVTAVTKFCHQZAP-UHFFFAOYSA-N
XLogP3.77
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(imidazo[1,2-a]quinolin-1-ylmethyl)pentan-1-amine?
The IUPAC name of N-(imidazo[1,2-a]quinolin-1-ylmethyl)pentan-1-amine (CID 70353959) is N-(imidazo[1,2-a]quinolin-1-ylmethyl)pentan-1-amine.
What is the SMILES notation for N-(imidazo[1,2-a]quinolin-1-ylmethyl)pentan-1-amine?
The canonical SMILES for N-(imidazo[1,2-a]quinolin-1-ylmethyl)pentan-1-amine is CCCCCNCc1cnc2ccc3ccccc3n12.
What is the InChIKey of N-(imidazo[1,2-a]quinolin-1-ylmethyl)pentan-1-amine?
The InChIKey is QVTAVTKFCHQZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-3-6-11-18-12-15-13-19-17-10-9-14-7-4-5-8-16(14)20(15)17/h4-5,7-10,13,18H,2-3,6,11-12H2,1H3.
What are the key properties of N-(imidazo[1,2-a]quinolin-1-ylmethyl)pentan-1-amine?
N-(imidazo[1,2-a]quinolin-1-ylmethyl)pentan-1-amine has a molecular weight of 267.38 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]quinolin-1-ylmethyl)pentan-1-amine is sourced from PubChem (CID 70353959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).