[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-(4-ethylpiperazin-1-yl)methanone

C24H26ClN3O2 — CID 46318971

IUPAC[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)N3CCN(CC)CC3)cc12
InChIInChI=1S/C24H26ClN3O2/c1-3-27-10-12-28(13-11-27)24(29)18-8-9-21-20(15-18)23(30-4-2)16-22(26-21)17-6-5-7-19(25)14-17/h5-9,14-16H,3-4,10-13H2,1-2H3
InChIKeyAUXLTDRODWTZFB-UHFFFAOYSA-N
MW423.94 g/mol
LogP4.73
Rot. Bonds5

About [2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-(4-ethylpiperazin-1-yl)methanone

[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 46318971) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID46318971
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC Name[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)N3CCN(CC)CC3)cc12
InChIInChI=1S/C24H26ClN3O2/c1-3-27-10-12-28(13-11-27)24(29)18-8-9-21-20(15-18)23(30-4-2)16-22(26-21)17-6-5-7-19(25)14-17/h5-9,14-16H,3-4,10-13H2,1-2H3
InChIKeyAUXLTDRODWTZFB-UHFFFAOYSA-N
XLogP4.73
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-piperidin-1-ylmethanone
CID 46318969
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
[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 46319075
(4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 4065244
ethyl 1-[4-ethoxy-2-(4-fluorophenyl)quinoline-6-carbonyl]piperidine-4-carboxylate
CID 46319079
[4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 33141139
ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
CID 22425101
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 1116272
1-[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-3-(3-fluoro-4-methylphenyl)urea
CID 46385124
N-(2,5-dimethoxyphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318861
2H-benzotriazol-5-yl-[(2S,6R)-9-(6-chloro-4-ethoxyquinoline-2-carbonyl)-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]methanone;molecular hydrogen
CID 159971741

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-(4-ethylpiperazin-1-yl)methanone (CID 46318971) is [2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-(4-ethylpiperazin-1-yl)methanone is CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)N3CCN(CC)CC3)cc12.
What is the InChIKey of [2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is AUXLTDRODWTZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-3-27-10-12-28(13-11-27)24(29)18-8-9-21-20(15-18)23(30-4-2)16-22(26-21)17-6-5-7-19(25)14-17/h5-9,14-16H,3-4,10-13H2,1-2H3.
What are the key properties of [2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-(4-ethylpiperazin-1-yl)methanone?
[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 423.94 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 46318971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).