6-chloro-N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine

C15H17ClN2O — CID 115928689

IUPAC6-chloro-N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine
SMILESCC(Nc1cc(Cl)cc2cccnc12)C1CCOC1
InChIInChI=1S/C15H17ClN2O/c1-10(12-4-6-19-9-12)18-14-8-13(16)7-11-3-2-5-17-15(11)14/h2-3,5,7-8,10,12,18H,4,6,9H2,1H3
InChIKeyBKCGXXPVLMTVEU-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.73
Rot. Bonds3

About 6-chloro-N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine

6-chloro-N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine (PubChem CID 115928689) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 6-chloro-N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine
PubChem CID115928689
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name6-chloro-N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine
SMILESCC(Nc1cc(Cl)cc2cccnc12)C1CCOC1
InChIInChI=1S/C15H17ClN2O/c1-10(12-4-6-19-9-12)18-14-8-13(16)7-11-3-2-5-17-15(11)14/h2-3,5,7-8,10,12,18H,4,6,9H2,1H3
InChIKeyBKCGXXPVLMTVEU-UHFFFAOYSA-N
XLogP3.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine
CID 115916542
2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 115695408
N-(1-cyclopropylethyl)quinolin-8-amine
CID 43191657
N-[1-(5-bromofuran-2-yl)ethyl]-6-chloroquinolin-8-amine
CID 104652287
5-chloro-N-[1-(oxolan-3-yl)ethyl]-2-propoxyaniline
CID 115929019
6-chloro-N-(1-ethoxypropan-2-yl)quinolin-8-amine
CID 115928687
N-(1-cyclopentylethyl)quinolin-8-amine
CID 62631531
6-chloro-N-(4-methylcyclohexyl)quinolin-8-amine
CID 43672383
6-chloro-N-[1-(2-fluorophenyl)ethyl]quinolin-8-amine
CID 43672450
6-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 115658056
5-chloro-3-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine
CID 115681781
6-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-8-amine
CID 43778931

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine?
The IUPAC name of 6-chloro-N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine (CID 115928689) is 6-chloro-N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine.
What is the SMILES notation for 6-chloro-N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine?
The canonical SMILES for 6-chloro-N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine is CC(Nc1cc(Cl)cc2cccnc12)C1CCOC1.
What is the InChIKey of 6-chloro-N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine?
The InChIKey is BKCGXXPVLMTVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10(12-4-6-19-9-12)18-14-8-13(16)7-11-3-2-5-17-15(11)14/h2-3,5,7-8,10,12,18H,4,6,9H2,1H3.
What are the key properties of 6-chloro-N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine?
6-chloro-N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine has a molecular weight of 276.77 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine is sourced from PubChem (CID 115928689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).