2-(4-chlorophenyl)-4-[methoxy(piperidin-2-yl)methyl]quinoline

C22H23ClN2O — CID 121481969

IUPAC2-(4-chlorophenyl)-4-[methoxy(piperidin-2-yl)methyl]quinoline
SMILESCOC(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)C1CCCCN1
InChIInChI=1S/C22H23ClN2O/c1-26-22(20-8-4-5-13-24-20)18-14-21(15-9-11-16(23)12-10-15)25-19-7-3-2-6-17(18)19/h2-3,6-7,9-12,14,20,22,24H,4-5,8,13H2,1H3
InChIKeyNCYIOKGOOQUNHZ-UHFFFAOYSA-N
MW366.89 g/mol
LogP5.38
Rot. Bonds4

About 2-(4-chlorophenyl)-4-[methoxy(piperidin-2-yl)methyl]quinoline

2-(4-chlorophenyl)-4-[methoxy(piperidin-2-yl)methyl]quinoline (PubChem CID 121481969) has the molecular formula C22H23ClN2O and a molecular weight of 366.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[methoxy(piperidin-2-yl)methyl]quinoline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[methoxy(piperidin-2-yl)methyl]quinoline
PubChem CID121481969
Molecular FormulaC22H23ClN2O
Molecular Weight366.89 g/mol
Exact Mass366.15
IUPAC Name2-(4-chlorophenyl)-4-[methoxy(piperidin-2-yl)methyl]quinoline
SMILESCOC(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)C1CCCCN1
InChIInChI=1S/C22H23ClN2O/c1-26-22(20-8-4-5-13-24-20)18-14-21(15-9-11-16(23)12-10-15)25-19-7-3-2-6-17(18)19/h2-3,6-7,9-12,14,20,22,24H,4-5,8,13H2,1H3
InChIKeyNCYIOKGOOQUNHZ-UHFFFAOYSA-N
XLogP5.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.89
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[methoxy(piperidin-2-yl)methyl]quinoline?
The IUPAC name of 2-(4-chlorophenyl)-4-[methoxy(piperidin-2-yl)methyl]quinoline (CID 121481969) is 2-(4-chlorophenyl)-4-[methoxy(piperidin-2-yl)methyl]quinoline.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[methoxy(piperidin-2-yl)methyl]quinoline?
The canonical SMILES for 2-(4-chlorophenyl)-4-[methoxy(piperidin-2-yl)methyl]quinoline is COC(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)C1CCCCN1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[methoxy(piperidin-2-yl)methyl]quinoline?
The InChIKey is NCYIOKGOOQUNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O/c1-26-22(20-8-4-5-13-24-20)18-14-21(15-9-11-16(23)12-10-15)25-19-7-3-2-6-17(18)19/h2-3,6-7,9-12,14,20,22,24H,4-5,8,13H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-[methoxy(piperidin-2-yl)methyl]quinoline?
2-(4-chlorophenyl)-4-[methoxy(piperidin-2-yl)methyl]quinoline has a molecular weight of 366.89 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[methoxy(piperidin-2-yl)methyl]quinoline is sourced from PubChem (CID 121481969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).