1-[8-[(3-methylphenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide

C23H25N3O2 — CID 18570691

IUPAC1-[8-[(3-methylphenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide
SMILESCc1cccc(COc2cccc3ccc(N4CCC(C(N)=O)CC4)nc23)c1
InChIInChI=1S/C23H25N3O2/c1-16-4-2-5-17(14-16)15-28-20-7-3-6-18-8-9-21(25-22(18)20)26-12-10-19(11-13-26)23(24)27/h2-9,14,19H,10-13,15H2,1H3,(H2,24,27)
InChIKeyIAOWAVNENYICOI-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.82
Rot. Bonds5

About 1-[8-[(3-methylphenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide

1-[8-[(3-methylphenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide (PubChem CID 18570691) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[8-[(3-methylphenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[8-[(3-methylphenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide
PubChem CID18570691
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-[8-[(3-methylphenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide
SMILESCc1cccc(COc2cccc3ccc(N4CCC(C(N)=O)CC4)nc23)c1
InChIInChI=1S/C23H25N3O2/c1-16-4-2-5-17(14-16)15-28-20-7-3-6-18-8-9-21(25-22(18)20)26-12-10-19(11-13-26)23(24)27/h2-9,14,19H,10-13,15H2,1H3,(H2,24,27)
InChIKeyIAOWAVNENYICOI-UHFFFAOYSA-N
XLogP3.82
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[8-[(3-methylphenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[8-[(3-methylphenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide (CID 18570691) is 1-[8-[(3-methylphenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[8-[(3-methylphenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[8-[(3-methylphenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide is Cc1cccc(COc2cccc3ccc(N4CCC(C(N)=O)CC4)nc23)c1.
What is the InChIKey of 1-[8-[(3-methylphenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide?
The InChIKey is IAOWAVNENYICOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-4-2-5-17(14-16)15-28-20-7-3-6-18-8-9-21(25-22(18)20)26-12-10-19(11-13-26)23(24)27/h2-9,14,19H,10-13,15H2,1H3,(H2,24,27).
What are the key properties of 1-[8-[(3-methylphenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide?
1-[8-[(3-methylphenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[(3-methylphenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 18570691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).