[6-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-(4-methoxyphenyl)methanone

C28H26FN3O3 — CID 20882587

IUPAC[6-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cnc3ccc(F)cc3c2N2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C28H26FN3O3/c1-34-21-10-7-19(8-11-21)28(33)23-18-30-24-12-9-20(29)17-22(24)27(23)32-15-13-31(14-16-32)25-5-3-4-6-26(25)35-2/h3-12,17-18H,13-16H2,1-2H3
InChIKeyTVXFZXCLOMLELU-UHFFFAOYSA-N
MW471.53 g/mol
LogP4.95
Rot. Bonds6

About [6-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-(4-methoxyphenyl)methanone

[6-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 20882587) has the molecular formula C28H26FN3O3 and a molecular weight of 471.53 g/mol. Its IUPAC name is [6-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[6-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-(4-methoxyphenyl)methanone
PubChem CID20882587
Molecular FormulaC28H26FN3O3
Molecular Weight471.53 g/mol
Exact Mass471.20
IUPAC Name[6-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cnc3ccc(F)cc3c2N2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C28H26FN3O3/c1-34-21-10-7-19(8-11-21)28(33)23-18-30-24-12-9-20(29)17-22(24)27(23)32-15-13-31(14-16-32)25-5-3-4-6-26(25)35-2/h3-12,17-18H,13-16H2,1-2H3
InChIKeyTVXFZXCLOMLELU-UHFFFAOYSA-N
XLogP4.95
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-(4-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-fluoro-4-(4-phenylpiperazin-1-yl)quinolin-3-yl]-phenylmethanone;hydrochloride
CID 126851117
[4-(azepan-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone
CID 20882559
(4-chloro-6-methoxyquinolin-3-yl)-(4-methoxyphenyl)methanone
CID 53491110
(4-ethoxyphenyl)-[4-(4-ethylpiperazin-1-yl)quinolin-3-yl]methanone
CID 7183668
[6-fluoro-4-(4-phenylsulfanylpiperazin-1-yl)quinolin-3-yl]-(4-methylsulfanylpiperazin-1-yl)methanone
CID 174205767
[6-fluoro-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone
CID 2138448
ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carboxylate
CID 162661401
[9-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-phenylmethanone;hydrochloride
CID 126851124
(5-fluoro-2-methoxyphenyl)-quinolin-6-ylmethanone
CID 78917671
6-fluoro-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121083473
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methoxyquinoline-3-carboxamide
CID 122183782
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxyquinoline-3-carboxylic acid
CID 7137791

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [6-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-(4-methoxyphenyl)methanone (CID 20882587) is [6-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [6-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [6-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cnc3ccc(F)cc3c2N2CCN(c3ccccc3OC)CC2)cc1.
What is the InChIKey of [6-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is TVXFZXCLOMLELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O3/c1-34-21-10-7-19(8-11-21)28(33)23-18-30-24-12-9-20(29)17-22(24)27(23)32-15-13-31(14-16-32)25-5-3-4-6-26(25)35-2/h3-12,17-18H,13-16H2,1-2H3.
What are the key properties of [6-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-(4-methoxyphenyl)methanone?
[6-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 471.53 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 20882587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).