[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-piperidin-1-ylmethanone

C23H23ClN2O2 — CID 46318969

IUPAC[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-piperidin-1-ylmethanone
SMILESCCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)N3CCCCC3)cc12
InChIInChI=1S/C23H23ClN2O2/c1-2-28-22-15-21(16-7-6-8-18(24)13-16)25-20-10-9-17(14-19(20)22)23(27)26-11-4-3-5-12-26/h6-10,13-15H,2-5,11-12H2,1H3
InChIKeyTTYCRJLHTXWTHZ-UHFFFAOYSA-N
MW394.90 g/mol
LogP5.58
Rot. Bonds4

About [2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-piperidin-1-ylmethanone

[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-piperidin-1-ylmethanone (PubChem CID 46318969) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-piperidin-1-ylmethanone
PubChem CID46318969
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC Name[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-piperidin-1-ylmethanone
SMILESCCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)N3CCCCC3)cc12
InChIInChI=1S/C23H23ClN2O2/c1-2-28-22-15-21(16-7-6-8-18(24)13-16)25-20-10-9-17(14-19(20)22)23(27)26-11-4-3-5-12-26/h6-10,13-15H,2-5,11-12H2,1H3
InChIKeyTTYCRJLHTXWTHZ-UHFFFAOYSA-N
XLogP5.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.90
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-(4-ethylpiperazin-1-yl)methanone
CID 46318971
2-(3-chlorophenyl)-4-ethoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide
CID 46318912
2-(3-chlorophenyl)-4-ethoxy-N-[(2R)-4-phenylbutan-2-yl]quinoline-6-carboxamide
CID 92867750
ethyl 1-[4-ethoxy-2-(4-fluorophenyl)quinoline-6-carbonyl]piperidine-4-carboxylate
CID 46319079
(3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone
CID 95970604
ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
CID 22425101
[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 46319075
1-[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-3-(3-fluoro-4-methylphenyl)urea
CID 46385124
[3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 162660899
[4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 33141139
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 1116272
(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone
CID 2302016

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-piperidin-1-ylmethanone (CID 46318969) is [2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-piperidin-1-ylmethanone is CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)N3CCCCC3)cc12.
What is the InChIKey of [2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is TTYCRJLHTXWTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c1-2-28-22-15-21(16-7-6-8-18(24)13-16)25-20-10-9-17(14-19(20)22)23(27)26-11-4-3-5-12-26/h6-10,13-15H,2-5,11-12H2,1H3.
What are the key properties of [2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-piperidin-1-ylmethanone?
[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 394.90 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 46318969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).