2-(5-chloroquinolin-8-yl)-N-ethyloxan-4-amine

C16H19ClN2O — CID 115960467

IUPAC2-(5-chloroquinolin-8-yl)-N-ethyloxan-4-amine
SMILESCCNC1CCOC(c2ccc(Cl)c3cccnc23)C1
InChIInChI=1S/C16H19ClN2O/c1-2-18-11-7-9-20-15(10-11)13-5-6-14(17)12-4-3-8-19-16(12)13/h3-6,8,11,15,18H,2,7,9-10H2,1H3
InChIKeySNCOWHJBBSLLCF-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.72
Rot. Bonds3

About 2-(5-chloroquinolin-8-yl)-N-ethyloxan-4-amine

2-(5-chloroquinolin-8-yl)-N-ethyloxan-4-amine (PubChem CID 115960467) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)-N-ethyloxan-4-amine.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)-N-ethyloxan-4-amine
PubChem CID115960467
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name2-(5-chloroquinolin-8-yl)-N-ethyloxan-4-amine
SMILESCCNC1CCOC(c2ccc(Cl)c3cccnc23)C1
InChIInChI=1S/C16H19ClN2O/c1-2-18-11-7-9-20-15(10-11)13-5-6-14(17)12-4-3-8-19-16(12)13/h3-6,8,11,15,18H,2,7,9-10H2,1H3
InChIKeySNCOWHJBBSLLCF-UHFFFAOYSA-N
XLogP3.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloroquinolin-8-yl)methyl]-2,2-dimethyloxan-4-amine
CID 115764370
N-ethyl-2-(2-methylpyrimidin-4-yl)oxan-4-amine
CID 115529255
[2-(5-chloroquinolin-8-yl)oxan-3-yl]methanol
CID 112618787
N-[(5-chloroquinolin-8-yl)methyl]-2-cyclopropyloxolan-3-amine
CID 103580673
2-(4-cyclopropylphenyl)-N-ethyloxan-4-amine
CID 79978003
5-chloro-N-(3-ethylcyclopentyl)quinolin-8-amine
CID 64500044
2-methyl-N-(quinolin-8-ylmethyl)oxan-4-amine
CID 81428245
N-[(5-chloroquinolin-8-yl)methyl]-2-ethylcyclopropan-1-amine
CID 103765936
4-(5-chloroquinolin-8-yl)azetidin-2-one
CID 112618582
2-(5-chloroquinolin-8-yl)-1-propylpyrrolidin-3-amine
CID 115960452
N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine
CID 115958999
N-[(3-ethyl-2-pyridinyl)methyl]-2-methyloxan-4-amine
CID 82731940

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)-N-ethyloxan-4-amine?
The IUPAC name of 2-(5-chloroquinolin-8-yl)-N-ethyloxan-4-amine (CID 115960467) is 2-(5-chloroquinolin-8-yl)-N-ethyloxan-4-amine.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)-N-ethyloxan-4-amine?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)-N-ethyloxan-4-amine is CCNC1CCOC(c2ccc(Cl)c3cccnc23)C1.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)-N-ethyloxan-4-amine?
The InChIKey is SNCOWHJBBSLLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-2-18-11-7-9-20-15(10-11)13-5-6-14(17)12-4-3-8-19-16(12)13/h3-6,8,11,15,18H,2,7,9-10H2,1H3.
What are the key properties of 2-(5-chloroquinolin-8-yl)-N-ethyloxan-4-amine?
2-(5-chloroquinolin-8-yl)-N-ethyloxan-4-amine has a molecular weight of 290.79 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)-N-ethyloxan-4-amine is sourced from PubChem (CID 115960467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).