[2-(4-butoxyphenyl)quinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C31H33N3O3 — CID 5093684

IUPAC[2-(4-butoxyphenyl)quinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCCCOc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C31H33N3O3/c1-3-4-21-37-26-13-9-23(10-14-26)30-22-28(27-7-5-6-8-29(27)32-30)31(35)34-19-17-33(18-20-34)24-11-15-25(36-2)16-12-24/h5-16,22H,3-4,17-21H2,1-2H3
InChIKeyZTJTZVWAQRXHEL-UHFFFAOYSA-N
MW495.62 g/mol
LogP6.05
Rot. Bonds8

About [2-(4-butoxyphenyl)quinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

[2-(4-butoxyphenyl)quinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 5093684) has the molecular formula C31H33N3O3 and a molecular weight of 495.62 g/mol. Its IUPAC name is [2-(4-butoxyphenyl)quinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-butoxyphenyl)quinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID5093684
Molecular FormulaC31H33N3O3
Molecular Weight495.62 g/mol
Exact Mass495.25
IUPAC Name[2-(4-butoxyphenyl)quinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCCCOc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C31H33N3O3/c1-3-4-21-37-26-13-9-23(10-14-26)30-22-28(27-7-5-6-8-29(27)32-30)31(35)34-19-17-33(18-20-34)24-11-15-25(36-2)16-12-24/h5-16,22H,3-4,17-21H2,1-2H3
InChIKeyZTJTZVWAQRXHEL-UHFFFAOYSA-N
XLogP6.05
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.62
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(4-butoxyphenyl)quinolin-4-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

[2-(3-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 4256561
[2-(4-methoxyphenyl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 1011234
[2-[4-[3-(ethylamino)propoxy]phenyl]quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 10179324
(4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 4273485
[2-(4-butoxyphenyl)quinolin-4-yl]-pyrazol-1-ylmethanone
CID 4684967
[4-(4-chlorophenyl)piperazin-1-yl]-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone
CID 4535152
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone
CID 17375510
[6-bromo-2-(4-propoxyphenyl)quinolin-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 5181062
[2-(4-ethylphenyl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3554779
N-[4-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]propanamide
CID 46375237
1,4-diazepan-1-yl-[2-(4-methoxyphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119415935
2-(4-butoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 3274863

Frequently Asked Questions

What is the IUPAC name of [2-(4-butoxyphenyl)quinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(4-butoxyphenyl)quinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 5093684) is [2-(4-butoxyphenyl)quinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(4-butoxyphenyl)quinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(4-butoxyphenyl)quinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is CCCCOc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3n2)cc1.
What is the InChIKey of [2-(4-butoxyphenyl)quinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is ZTJTZVWAQRXHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O3/c1-3-4-21-37-26-13-9-23(10-14-26)30-22-28(27-7-5-6-8-29(27)32-30)31(35)34-19-17-33(18-20-34)24-11-15-25(36-2)16-12-24/h5-16,22H,3-4,17-21H2,1-2H3.
What are the key properties of [2-(4-butoxyphenyl)quinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
[2-(4-butoxyphenyl)quinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 495.62 g/mol, XLogP of 6.05, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-butoxyphenyl)quinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 5093684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).