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

C24H30Cl2N4O2 — CID 158632742

IUPAC2-chloro-7-methylquinoline;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride
SMILESCc1ccc2ccc(Cl)nc2c1.Cl.c1cnc(C2CCOCC2)c(OC2CCNCC2)n1
InChIInChI=1S/C14H21N3O2.C10H8ClN.ClH/c1-5-15-6-2-12(1)19-14-13(16-7-8-17-14)11-3-9-18-10-4-11;1-7-2-3-8-4-5-10(11)12-9(8)6-7;/h7-8,11-12,15H,1-6,9-10H2;2-6H,1H3;1H
InChIKeySQQOVSMLPZYSPS-UHFFFAOYSA-N
MW477.44 g/mol
LogP5.12
Rot. Bonds3

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

2-chloro-7-methylquinoline;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride (PubChem CID 158632742) has the molecular formula C24H30Cl2N4O2 and a molecular weight of 477.44 g/mol. Its IUPAC name is 2-chloro-7-methylquinoline;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride.

Molecular Properties

Compound Name2-chloro-7-methylquinoline;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride
PubChem CID158632742
Molecular FormulaC24H30Cl2N4O2
Molecular Weight477.44 g/mol
Exact Mass476.17
IUPAC Name2-chloro-7-methylquinoline;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride
SMILESCc1ccc2ccc(Cl)nc2c1.Cl.c1cnc(C2CCOCC2)c(OC2CCNCC2)n1
InChIInChI=1S/C14H21N3O2.C10H8ClN.ClH/c1-5-15-6-2-12(1)19-14-13(16-7-8-17-14)11-3-9-18-10-4-11;1-7-2-3-8-4-5-10(11)12-9(8)6-7;/h7-8,11-12,15H,1-6,9-10H2;2-6H,1H3;1H
InChIKeySQQOVSMLPZYSPS-UHFFFAOYSA-N
XLogP5.12
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-chloro-7-methylquinoline;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-7-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride
CID 159164139
2-chloro-4-methylpyridine;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride
CID 158747861
2-chloro-8-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride
CID 158280503
4-methyl-2-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline
CID 58548052
2-methyl-3-piperidin-4-yloxypyrazine;hydrochloride
CID 71639336
6-methyl-3-piperidin-4-yloxy-1H-indazole
CID 84694852
2-[(2-methyl-3-pyridinyl)oxy]-3-piperidin-4-ylpyrazine;dihydrochloride
CID 171688156
2,6-dimethyl-3-piperidin-4-yloxypyridine;hydrochloride
CID 154573872
4-(2-chloro-4-methylphenoxy)oxane
CID 58103858
2,5-dimethyl-3-piperidin-4-yloxypyrazine;dihydrochloride
CID 171700740
6-chloro-2-(oxan-4-yloxy)pyridin-3-amine
CID 115474519
2-methyl-3-pyrrolidin-3-yloxypyrazine;hydrochloride
CID 71639334

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methylquinoline;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride?
The IUPAC name of 2-chloro-7-methylquinoline;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride (CID 158632742) is 2-chloro-7-methylquinoline;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride.
What is the SMILES notation for 2-chloro-7-methylquinoline;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride?
The canonical SMILES for 2-chloro-7-methylquinoline;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride is Cc1ccc2ccc(Cl)nc2c1.Cl.c1cnc(C2CCOCC2)c(OC2CCNCC2)n1.
What is the InChIKey of 2-chloro-7-methylquinoline;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride?
The InChIKey is SQQOVSMLPZYSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.C10H8ClN.ClH/c1-5-15-6-2-12(1)19-14-13(16-7-8-17-14)11-3-9-18-10-4-11;1-7-2-3-8-4-5-10(11)12-9(8)6-7;/h7-8,11-12,15H,1-6,9-10H2;2-6H,1H3;1H.
What are the key properties of 2-chloro-7-methylquinoline;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride?
2-chloro-7-methylquinoline;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride has a molecular weight of 477.44 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methylquinoline;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride is sourced from PubChem (CID 158632742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).