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

C30H31N3O2 — CID 1261265

IUPAC[2-(4-ethylphenyl)-3-methylquinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCc1ccc(-c2nc3ccccc3c(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c2C)cc1
InChIInChI=1S/C30H31N3O2/c1-4-22-9-11-23(12-10-22)29-21(2)28(26-7-5-6-8-27(26)31-29)30(34)33-19-17-32(18-20-33)24-13-15-25(35-3)16-14-24/h5-16H,4,17-20H2,1-3H3
InChIKeyWFTAKGIKICNYNP-UHFFFAOYSA-N
MW465.60 g/mol
LogP5.74
Rot. Bonds5

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

[2-(4-ethylphenyl)-3-methylquinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 1261265) has the molecular formula C30H31N3O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-3-methylquinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-3-methylquinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID1261265
Molecular FormulaC30H31N3O2
Molecular Weight465.60 g/mol
Exact Mass465.24
IUPAC Name[2-(4-ethylphenyl)-3-methylquinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCc1ccc(-c2nc3ccccc3c(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c2C)cc1
InChIInChI=1S/C30H31N3O2/c1-4-22-9-11-23(12-10-22)29-21(2)28(26-7-5-6-8-27(26)31-29)30(34)33-19-17-32(18-20-33)24-13-15-25(35-3)16-14-24/h5-16H,4,17-20H2,1-3H3
InChIKeyWFTAKGIKICNYNP-UHFFFAOYSA-N
XLogP5.74
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone
CID 4080449
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone
CID 2965435
[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6105008
(3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone
CID 868745
(4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone
CID 1023261
N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 3681950
N,N-diethyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4199357
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone
CID 46288051
[2-(4-butoxyphenyl)quinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 5093684
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 1220212
(2-hydroxyacridin-9-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 11429878
2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
CID 5197457

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-3-methylquinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(4-ethylphenyl)-3-methylquinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 1261265) is [2-(4-ethylphenyl)-3-methylquinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(4-ethylphenyl)-3-methylquinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(4-ethylphenyl)-3-methylquinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is CCc1ccc(-c2nc3ccccc3c(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c2C)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-3-methylquinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is WFTAKGIKICNYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O2/c1-4-22-9-11-23(12-10-22)29-21(2)28(26-7-5-6-8-27(26)31-29)30(34)33-19-17-32(18-20-33)24-13-15-25(35-3)16-14-24/h5-16H,4,17-20H2,1-3H3.
What are the key properties of [2-(4-ethylphenyl)-3-methylquinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
[2-(4-ethylphenyl)-3-methylquinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 465.60 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-3-methylquinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1261265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).