2-[1-(3-chloro-6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine

C17H22ClN3O — CID 68900992

IUPAC2-[1-(3-chloro-6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine
SMILESCOc1ccc2ncc(Cl)c(N3CCC(CCN)CC3)c2c1
InChIInChI=1S/C17H22ClN3O/c1-22-13-2-3-16-14(10-13)17(15(18)11-20-16)21-8-5-12(4-7-19)6-9-21/h2-3,10-12H,4-9,19H2,1H3
InChIKeyFMBYWZPZUPIIMO-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.46
Rot. Bonds4

About 2-[1-(3-chloro-6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine

2-[1-(3-chloro-6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine (PubChem CID 68900992) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is 2-[1-(3-chloro-6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-chloro-6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine
PubChem CID68900992
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name2-[1-(3-chloro-6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine
SMILESCOc1ccc2ncc(Cl)c(N3CCC(CCN)CC3)c2c1
InChIInChI=1S/C17H22ClN3O/c1-22-13-2-3-16-14(10-13)17(15(18)11-20-16)21-8-5-12(4-7-19)6-9-21/h2-3,10-12H,4-9,19H2,1H3
InChIKeyFMBYWZPZUPIIMO-UHFFFAOYSA-N
XLogP3.46
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 80753257
[1-(3-cyano-6-methoxyquinolin-4-yl)piperidin-4-yl]methyl dihydrogen phosphite
CID 154672957
4-[3-[(3,4-dichlorophenyl)methyl]-6-methoxyquinolin-4-yl]morpholine
CID 143492312
3-bromo-6-methoxy-4-piperazin-1-ylquinoline
CID 121236333
6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
CID 18559573
1-(6-chloro-2-methoxyacridin-9-yl)piperidin-4-ol
CID 71595103
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 15044920
3-chloro-6-methoxy-4-[3-[1-(2-pyridin-2-ylsulfanylethyl)piperidin-4-yl]propyl]quinoline
CID 151638577
[1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine
CID 106536607
3-(2-methoxy-7,8,9,10-tetrahydrophenanthridin-9-yl)propan-1-amine
CID 90348343
3,6-dichloro-4-piperazin-1-ylquinoline
CID 121236121
9-methoxy-1-(piperidin-4-ylmethyl)-2,3-dihydro-[1,4]oxazino[2,3-c]quinoline
CID 143875698

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-(3-chloro-6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine (CID 68900992) is 2-[1-(3-chloro-6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-chloro-6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-(3-chloro-6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine is COc1ccc2ncc(Cl)c(N3CCC(CCN)CC3)c2c1.
What is the InChIKey of 2-[1-(3-chloro-6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine?
The InChIKey is FMBYWZPZUPIIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-22-13-2-3-16-14(10-13)17(15(18)11-20-16)21-8-5-12(4-7-19)6-9-21/h2-3,10-12H,4-9,19H2,1H3.
What are the key properties of 2-[1-(3-chloro-6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine?
2-[1-(3-chloro-6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine has a molecular weight of 319.84 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 68900992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).