[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C29H28FN3O3 — CID 46319075

IUPAC[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc12
InChIInChI=1S/C29H28FN3O3/c1-3-36-28-19-27(20-4-7-22(30)8-5-20)31-26-13-6-21(18-25(26)28)29(34)33-16-14-32(15-17-33)23-9-11-24(35-2)12-10-23/h4-13,18-19H,3,14-17H2,1-2H3
InChIKeyUQOKDYFQLJWIFJ-UHFFFAOYSA-N
MW485.56 g/mol
LogP5.41
Rot. Bonds6

About [4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 46319075) has the molecular formula C29H28FN3O3 and a molecular weight of 485.56 g/mol. Its IUPAC name is [4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID46319075
Molecular FormulaC29H28FN3O3
Molecular Weight485.56 g/mol
Exact Mass485.21
IUPAC Name[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc12
InChIInChI=1S/C29H28FN3O3/c1-3-36-28-19-27(20-4-7-22(30)8-5-20)31-26-13-6-21(18-25(26)28)29(34)33-16-14-32(15-17-33)23-9-11-24(35-2)12-10-23/h4-13,18-19H,3,14-17H2,1-2H3
InChIKeyUQOKDYFQLJWIFJ-UHFFFAOYSA-N
XLogP5.41
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.56
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze [4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]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

[4-(4-fluorophenyl)piperazin-1-yl]-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]methanone
CID 46319099
ethyl 1-[4-ethoxy-2-(4-fluorophenyl)quinoline-6-carbonyl]piperidine-4-carboxylate
CID 46319079
methyl 4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 154854437
[4-(4-methoxyphenyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 9265987
(4-butoxy-3-methoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 78781387
[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-(4-ethylpiperazin-1-yl)methanone
CID 46318971
[2-(4-butoxyphenyl)quinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 5093684
[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-piperidin-1-ylmethanone
CID 46318969
3-(4-fluorophenyl)-8-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-triazolo[1,5-a]quinazolin-5-one
CID 45498856
4-ethoxy-2-(4-fluorophenyl)-N-(2-hydroxyphenyl)quinoline-6-carboxamide
CID 46319037
(4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 42110666
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone
CID 17375510

Frequently Asked Questions

What is the IUPAC name of [4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 46319075) is [4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is CCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc12.
What is the InChIKey of [4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is UQOKDYFQLJWIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN3O3/c1-3-36-28-19-27(20-4-7-22(30)8-5-20)31-26-13-6-21(18-25(26)28)29(34)33-16-14-32(15-17-33)23-9-11-24(35-2)12-10-23/h4-13,18-19H,3,14-17H2,1-2H3.
What are the key properties of [4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 485.56 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 46319075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).