2-chloro-8-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride

C25H31Cl2N3O2 — CID 158280503

IUPAC2-chloro-8-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride
SMILESCc1cccc2ccc(Cl)nc12.Cl.c1cnc(OC2CCNCC2)c(C2CCOCC2)c1
InChIInChI=1S/C15H22N2O2.C10H8ClN.ClH/c1-2-14(12-5-10-18-11-6-12)15(17-7-1)19-13-3-8-16-9-4-13;1-7-3-2-4-8-5-6-9(11)12-10(7)8;/h1-2,7,12-13,16H,3-6,8-11H2;2-6H,1H3;1H
InChIKeyKQZQKNOBYPHBHX-UHFFFAOYSA-N
MW476.45 g/mol
LogP5.72
Rot. Bonds3

About 2-chloro-8-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride

2-chloro-8-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride (PubChem CID 158280503) has the molecular formula C25H31Cl2N3O2 and a molecular weight of 476.45 g/mol. Its IUPAC name is 2-chloro-8-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride.

Molecular Properties

Compound Name2-chloro-8-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride
PubChem CID158280503
Molecular FormulaC25H31Cl2N3O2
Molecular Weight476.45 g/mol
Exact Mass475.18
IUPAC Name2-chloro-8-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride
SMILESCc1cccc2ccc(Cl)nc12.Cl.c1cnc(OC2CCNCC2)c(C2CCOCC2)c1
InChIInChI=1S/C15H22N2O2.C10H8ClN.ClH/c1-2-14(12-5-10-18-11-6-12)15(17-7-1)19-13-3-8-16-9-4-13;1-7-3-2-4-8-5-6-9(11)12-10(7)8;/h1-2,7,12-13,16H,3-6,8-11H2;2-6H,1H3;1H
InChIKeyKQZQKNOBYPHBHX-UHFFFAOYSA-N
XLogP5.72
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.45
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-7-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride
CID 159164139
2-chloro-7-methylquinoline;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride
CID 158632742
2-chloro-4-methylpyridine;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride
CID 158747861
1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone
CID 58547694
2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
CID 58547869
3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid
CID 58548534
7-bromo-8-piperidin-4-yloxyquinoline
CID 68754211
[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate
CID 123312806
2-methyl-3-piperidin-4-yloxypyrazine;hydrochloride
CID 71639336
1-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]benzimidazol-2-amine
CID 140572015
isoquinolin-3-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
CID 54670305
3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]-1-pyridin-2-ylcyclobutane-1-carbaldehyde
CID 88546078

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride?
The IUPAC name of 2-chloro-8-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride (CID 158280503) is 2-chloro-8-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride.
What is the SMILES notation for 2-chloro-8-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride?
The canonical SMILES for 2-chloro-8-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride is Cc1cccc2ccc(Cl)nc12.Cl.c1cnc(OC2CCNCC2)c(C2CCOCC2)c1.
What is the InChIKey of 2-chloro-8-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride?
The InChIKey is KQZQKNOBYPHBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.C10H8ClN.ClH/c1-2-14(12-5-10-18-11-6-12)15(17-7-1)19-13-3-8-16-9-4-13;1-7-3-2-4-8-5-6-9(11)12-10(7)8;/h1-2,7,12-13,16H,3-6,8-11H2;2-6H,1H3;1H.
What are the key properties of 2-chloro-8-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride?
2-chloro-8-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride has a molecular weight of 476.45 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride is sourced from PubChem (CID 158280503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).