[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone

C30H31N3O3 — CID 2965435

IUPAC[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone
SMILESCOc1ccc(-c2nc3ccccc3c(C(=O)N3CCN(Cc4cccc(OC)c4)CC3)c2C)cc1
InChIInChI=1S/C30H31N3O3/c1-21-28(26-9-4-5-10-27(26)31-29(21)23-11-13-24(35-2)14-12-23)30(34)33-17-15-32(16-18-33)20-22-7-6-8-25(19-22)36-3/h4-14,19H,15-18,20H2,1-3H3
InChIKeyNOLHRFBMENQCCB-UHFFFAOYSA-N
MW481.60 g/mol
LogP5.19
Rot. Bonds6

About [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone

[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone (PubChem CID 2965435) has the molecular formula C30H31N3O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone.

Molecular Properties

Compound Name[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone
PubChem CID2965435
Molecular FormulaC30H31N3O3
Molecular Weight481.60 g/mol
Exact Mass481.24
IUPAC Name[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone
SMILESCOc1ccc(-c2nc3ccccc3c(C(=O)N3CCN(Cc4cccc(OC)c4)CC3)c2C)cc1
InChIInChI=1S/C30H31N3O3/c1-21-28(26-9-4-5-10-27(26)31-29(21)23-11-13-24(35-2)14-12-23)30(34)33-17-15-32(16-18-33)20-22-7-6-8-25(19-22)36-3/h4-14,19H,15-18,20H2,1-3H3
InChIKeyNOLHRFBMENQCCB-UHFFFAOYSA-N
XLogP5.19
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone with MolForge

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Related Compounds

(4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone
CID 1023261
(4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone
CID 4080449
[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6105008
[2-(4-ethylphenyl)-3-methylquinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 1261265
(3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone
CID 868745
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one
CID 131943539
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridin-3-ylquinolin-4-yl)methanone
CID 1261440
[2-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 19323262
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone
CID 74243553
(4-benzylpiperazin-1-yl)-[6-bromo-2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 5226155
2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
CID 5197457
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 780106

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone?
The IUPAC name of [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone (CID 2965435) is [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone.
What is the SMILES notation for [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone?
The canonical SMILES for [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone is COc1ccc(-c2nc3ccccc3c(C(=O)N3CCN(Cc4cccc(OC)c4)CC3)c2C)cc1.
What is the InChIKey of [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone?
The InChIKey is NOLHRFBMENQCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O3/c1-21-28(26-9-4-5-10-27(26)31-29(21)23-11-13-24(35-2)14-12-23)30(34)33-17-15-32(16-18-33)20-22-7-6-8-25(19-22)36-3/h4-14,19H,15-18,20H2,1-3H3.
What are the key properties of [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone?
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone has a molecular weight of 481.60 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone is sourced from PubChem (CID 2965435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).