(R)-[2-(3-chloro-4-methylphenyl)quinolin-4-yl]-[(6R)-1,2,3,6-tetrahydropyridin-6-yl]methanol

C22H21ClN2O — CID 135253923

IUPAC(R)-[2-(3-chloro-4-methylphenyl)quinolin-4-yl]-[(6R)-1,2,3,6-tetrahydropyridin-6-yl]methanol
SMILESCc1ccc(-c2cc([C@@H](O)[C@H]3C=CCCN3)c3ccccc3n2)cc1Cl
InChIInChI=1S/C22H21ClN2O/c1-14-9-10-15(12-18(14)23)21-13-17(16-6-2-3-7-19(16)25-21)22(26)20-8-4-5-11-24-20/h2-4,6-10,12-13,20,22,24,26H,5,11H2,1H3/t20-,22-/m1/s1
InChIKeyHETIVHRRELDJRH-IFMALSPDSA-N
MW364.88 g/mol
LogP4.82
Rot. Bonds3

About (R)-[2-(3-chloro-4-methylphenyl)quinolin-4-yl]-[(6R)-1,2,3,6-tetrahydropyridin-6-yl]methanol

(R)-[2-(3-chloro-4-methylphenyl)quinolin-4-yl]-[(6R)-1,2,3,6-tetrahydropyridin-6-yl]methanol (PubChem CID 135253923) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is (R)-[2-(3-chloro-4-methylphenyl)quinolin-4-yl]-[(6R)-1,2,3,6-tetrahydropyridin-6-yl]methanol.

Molecular Properties

Compound Name(R)-[2-(3-chloro-4-methylphenyl)quinolin-4-yl]-[(6R)-1,2,3,6-tetrahydropyridin-6-yl]methanol
PubChem CID135253923
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC Name(R)-[2-(3-chloro-4-methylphenyl)quinolin-4-yl]-[(6R)-1,2,3,6-tetrahydropyridin-6-yl]methanol
SMILESCc1ccc(-c2cc([C@@H](O)[C@H]3C=CCCN3)c3ccccc3n2)cc1Cl
InChIInChI=1S/C22H21ClN2O/c1-14-9-10-15(12-18(14)23)21-13-17(16-6-2-3-7-19(16)25-21)22(26)20-8-4-5-11-24-20/h2-4,6-10,12-13,20,22,24,26H,5,11H2,1H3/t20-,22-/m1/s1
InChIKeyHETIVHRRELDJRH-IFMALSPDSA-N
XLogP4.82
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (R)-[2-(3-chloro-4-methylphenyl)quinolin-4-yl]-[(6R)-1,2,3,6-tetrahydropyridin-6-yl]methanol?
The IUPAC name of (R)-[2-(3-chloro-4-methylphenyl)quinolin-4-yl]-[(6R)-1,2,3,6-tetrahydropyridin-6-yl]methanol (CID 135253923) is (R)-[2-(3-chloro-4-methylphenyl)quinolin-4-yl]-[(6R)-1,2,3,6-tetrahydropyridin-6-yl]methanol.
What is the SMILES notation for (R)-[2-(3-chloro-4-methylphenyl)quinolin-4-yl]-[(6R)-1,2,3,6-tetrahydropyridin-6-yl]methanol?
The canonical SMILES for (R)-[2-(3-chloro-4-methylphenyl)quinolin-4-yl]-[(6R)-1,2,3,6-tetrahydropyridin-6-yl]methanol is Cc1ccc(-c2cc([C@@H](O)[C@H]3C=CCCN3)c3ccccc3n2)cc1Cl.
What is the InChIKey of (R)-[2-(3-chloro-4-methylphenyl)quinolin-4-yl]-[(6R)-1,2,3,6-tetrahydropyridin-6-yl]methanol?
The InChIKey is HETIVHRRELDJRH-IFMALSPDSA-N. The full InChI is InChI=1S/C22H21ClN2O/c1-14-9-10-15(12-18(14)23)21-13-17(16-6-2-3-7-19(16)25-21)22(26)20-8-4-5-11-24-20/h2-4,6-10,12-13,20,22,24,26H,5,11H2,1H3/t20-,22-/m1/s1.
What are the key properties of (R)-[2-(3-chloro-4-methylphenyl)quinolin-4-yl]-[(6R)-1,2,3,6-tetrahydropyridin-6-yl]methanol?
(R)-[2-(3-chloro-4-methylphenyl)quinolin-4-yl]-[(6R)-1,2,3,6-tetrahydropyridin-6-yl]methanol has a molecular weight of 364.88 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[2-(3-chloro-4-methylphenyl)quinolin-4-yl]-[(6R)-1,2,3,6-tetrahydropyridin-6-yl]methanol is sourced from PubChem (CID 135253923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).