2-chloro-7-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride

C25H31Cl2N3O2 — CID 159164139

IUPAC2-chloro-7-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride
SMILESCc1ccc2ccc(Cl)nc2c1.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;1-7-2-3-8-4-5-10(11)12-9(8)6-7;/h1-2,7,12-13,16H,3-6,8-11H2;2-6H,1H3;1H
InChIKeyUOVKVOMAZMPWEJ-UHFFFAOYSA-N
MW476.45 g/mol
LogP5.72
Rot. Bonds3

About 2-chloro-7-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride

2-chloro-7-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride (PubChem CID 159164139) has the molecular formula C25H31Cl2N3O2 and a molecular weight of 476.45 g/mol. Its IUPAC name is 2-chloro-7-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride.

Molecular Properties

Compound Name2-chloro-7-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride
PubChem CID159164139
Molecular FormulaC25H31Cl2N3O2
Molecular Weight476.45 g/mol
Exact Mass475.18
IUPAC Name2-chloro-7-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride
SMILESCc1ccc2ccc(Cl)nc2c1.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;1-7-2-3-8-4-5-10(11)12-9(8)6-7;/h1-2,7,12-13,16H,3-6,8-11H2;2-6H,1H3;1H
InChIKeyUOVKVOMAZMPWEJ-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride?
The IUPAC name of 2-chloro-7-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride (CID 159164139) is 2-chloro-7-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride.
What is the SMILES notation for 2-chloro-7-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride?
The canonical SMILES for 2-chloro-7-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride is Cc1ccc2ccc(Cl)nc2c1.Cl.c1cnc(OC2CCNCC2)c(C2CCOCC2)c1.
What is the InChIKey of 2-chloro-7-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride?
The InChIKey is UOVKVOMAZMPWEJ-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;1-7-2-3-8-4-5-10(11)12-9(8)6-7;/h1-2,7,12-13,16H,3-6,8-11H2;2-6H,1H3;1H.
What are the key properties of 2-chloro-7-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride?
2-chloro-7-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-7-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride is sourced from PubChem (CID 159164139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).