[4-[(6-fluoro-4-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone

C23H24FN3O3 — CID 171342416

IUPAC[4-[(6-fluoro-4-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(Cc3cc(OC)c4cc(F)ccc4n3)CC2)cc1
InChIInChI=1S/C23H24FN3O3/c1-29-19-6-3-16(4-7-19)23(28)27-11-9-26(10-12-27)15-18-14-22(30-2)20-13-17(24)5-8-21(20)25-18/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyRLAOMTWCOYCNNO-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.35
Rot. Bonds5

About [4-[(6-fluoro-4-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone

[4-[(6-fluoro-4-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 171342416) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is [4-[(6-fluoro-4-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[(6-fluoro-4-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID171342416
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name[4-[(6-fluoro-4-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(Cc3cc(OC)c4cc(F)ccc4n3)CC2)cc1
InChIInChI=1S/C23H24FN3O3/c1-29-19-6-3-16(4-7-19)23(28)27-11-9-26(10-12-27)15-18-14-22(30-2)20-13-17(24)5-8-21(20)25-18/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyRLAOMTWCOYCNNO-UHFFFAOYSA-N
XLogP3.35
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;oxalic acid
CID 17384978
[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 110802471
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 4651067
(4-methoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 704389
[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 997986
[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-iodophenyl)methanone
CID 31792217
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 1126140
[4-[[6-[[4-[4-(3,4,5-trimethoxyphenyl)benzoyl]piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperazin-1-yl]-[4-(3,4,5-trimethoxyphenyl)phenyl]methanone
CID 18770400
(3-fluorophenyl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366596
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4,6-dimethoxyquinoline
CID 171348067
(4-fluorophenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131721

Frequently Asked Questions

What is the IUPAC name of [4-[(6-fluoro-4-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-[(6-fluoro-4-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 171342416) is [4-[(6-fluoro-4-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-[(6-fluoro-4-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-[(6-fluoro-4-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(Cc3cc(OC)c4cc(F)ccc4n3)CC2)cc1.
What is the InChIKey of [4-[(6-fluoro-4-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is RLAOMTWCOYCNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-29-19-6-3-16(4-7-19)23(28)27-11-9-26(10-12-27)15-18-14-22(30-2)20-13-17(24)5-8-21(20)25-18/h3-8,13-14H,9-12,15H2,1-2H3.
What are the key properties of [4-[(6-fluoro-4-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-[(6-fluoro-4-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 409.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-fluoro-4-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 171342416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).