6-chloro-N-(1-ethoxypropan-2-yl)quinolin-8-amine

C14H17ClN2O — CID 115928687

IUPAC6-chloro-N-(1-ethoxypropan-2-yl)quinolin-8-amine
SMILESCCOCC(C)Nc1cc(Cl)cc2cccnc12
InChIInChI=1S/C14H17ClN2O/c1-3-18-9-10(2)17-13-8-12(15)7-11-5-4-6-16-14(11)13/h4-8,10,17H,3,9H2,1-2H3
InChIKeyWDMZOKSTBYHPLL-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.73
Rot. Bonds5

About 6-chloro-N-(1-ethoxypropan-2-yl)quinolin-8-amine

6-chloro-N-(1-ethoxypropan-2-yl)quinolin-8-amine (PubChem CID 115928687) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 6-chloro-N-(1-ethoxypropan-2-yl)quinolin-8-amine.

Molecular Properties

Compound Name6-chloro-N-(1-ethoxypropan-2-yl)quinolin-8-amine
PubChem CID115928687
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name6-chloro-N-(1-ethoxypropan-2-yl)quinolin-8-amine
SMILESCCOCC(C)Nc1cc(Cl)cc2cccnc12
InChIInChI=1S/C14H17ClN2O/c1-3-18-9-10(2)17-13-8-12(15)7-11-5-4-6-16-14(11)13/h4-8,10,17H,3,9H2,1-2H3
InChIKeyWDMZOKSTBYHPLL-UHFFFAOYSA-N
XLogP3.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-(1-ethoxypropan-2-yl)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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-ethoxypropan-2-yl)quinolin-8-amine?
The IUPAC name of 6-chloro-N-(1-ethoxypropan-2-yl)quinolin-8-amine (CID 115928687) is 6-chloro-N-(1-ethoxypropan-2-yl)quinolin-8-amine.
What is the SMILES notation for 6-chloro-N-(1-ethoxypropan-2-yl)quinolin-8-amine?
The canonical SMILES for 6-chloro-N-(1-ethoxypropan-2-yl)quinolin-8-amine is CCOCC(C)Nc1cc(Cl)cc2cccnc12.
What is the InChIKey of 6-chloro-N-(1-ethoxypropan-2-yl)quinolin-8-amine?
The InChIKey is WDMZOKSTBYHPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-3-18-9-10(2)17-13-8-12(15)7-11-5-4-6-16-14(11)13/h4-8,10,17H,3,9H2,1-2H3.
What are the key properties of 6-chloro-N-(1-ethoxypropan-2-yl)quinolin-8-amine?
6-chloro-N-(1-ethoxypropan-2-yl)quinolin-8-amine has a molecular weight of 264.76 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-ethoxypropan-2-yl)quinolin-8-amine is sourced from PubChem (CID 115928687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).