1-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide

C22H22ClN3O2 — CID 18570705

IUPAC1-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc3cccc(OCc4ccccc4Cl)c3n2)CC1
InChIInChI=1S/C22H22ClN3O2/c23-18-6-2-1-4-17(18)14-28-19-7-3-5-15-8-9-20(25-21(15)19)26-12-10-16(11-13-26)22(24)27/h1-9,16H,10-14H2,(H2,24,27)
InChIKeyNSWZGHQMAMZDQG-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.17
Rot. Bonds5

About 1-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide

1-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide (PubChem CID 18570705) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 1-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide
PubChem CID18570705
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name1-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc3cccc(OCc4ccccc4Cl)c3n2)CC1
InChIInChI=1S/C22H22ClN3O2/c23-18-6-2-1-4-17(18)14-28-19-7-3-5-15-8-9-20(25-21(15)19)26-12-10-16(11-13-26)22(24)27/h1-9,16H,10-14H2,(H2,24,27)
InChIKeyNSWZGHQMAMZDQG-UHFFFAOYSA-N
XLogP4.17
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide (CID 18570705) is 1-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ccc3cccc(OCc4ccccc4Cl)c3n2)CC1.
What is the InChIKey of 1-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide?
The InChIKey is NSWZGHQMAMZDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c23-18-6-2-1-4-17(18)14-28-19-7-3-5-15-8-9-20(25-21(15)19)26-12-10-16(11-13-26)22(24)27/h1-9,16H,10-14H2,(H2,24,27).
What are the key properties of 1-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide?
1-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 18570705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).