(2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone

C21H19ClN2O2 — CID 91625334

IUPAC(2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccccc1Cl)N1CCC(Oc2cccc3cccnc23)CC1
InChIInChI=1S/C21H19ClN2O2/c22-18-8-2-1-7-17(18)21(25)24-13-10-16(11-14-24)26-19-9-3-5-15-6-4-12-23-20(15)19/h1-9,12,16H,10-11,13-14H2
InChIKeyFIHGFKBJBMAPEN-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.57
Rot. Bonds3

About (2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone

(2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone (PubChem CID 91625334) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is (2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone
PubChem CID91625334
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name(2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccccc1Cl)N1CCC(Oc2cccc3cccnc23)CC1
InChIInChI=1S/C21H19ClN2O2/c22-18-8-2-1-7-17(18)21(25)24-13-10-16(11-14-24)26-19-9-3-5-15-6-4-12-23-20(15)19/h1-9,12,16H,10-11,13-14H2
InChIKeyFIHGFKBJBMAPEN-UHFFFAOYSA-N
XLogP4.57
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

furan-3-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625340
1-benzofuran-2-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625324
2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one
CID 124846967
(3-quinolin-8-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 143981180
(3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide
CID 124863649
[4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157245
[4-(4-methylphenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157244
2-fluoro-N-[4-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 121157276
(4-aminopiperidin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119375001
4-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]oxy-3-fluorobenzaldehyde
CID 71514920
2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone
CID 121157257
[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 71798834

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone (CID 91625334) is (2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone is O=C(c1ccccc1Cl)N1CCC(Oc2cccc3cccnc23)CC1.
What is the InChIKey of (2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone?
The InChIKey is FIHGFKBJBMAPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c22-18-8-2-1-7-17(18)21(25)24-13-10-16(11-14-24)26-19-9-3-5-15-6-4-12-23-20(15)19/h1-9,12,16H,10-11,13-14H2.
What are the key properties of (2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone?
(2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone has a molecular weight of 366.85 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 91625334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).