[2-(4-ethylphenyl)-3-methylquinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

C25H30N3O+ — CID 2220750

IUPAC[2-(4-ethylphenyl)-3-methylquinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone
SMILESCCc1ccc(-c2nc3ccccc3c(C(=O)N3CC[NH+](CC)CC3)c2C)cc1
InChIInChI=1S/C25H29N3O/c1-4-19-10-12-20(13-11-19)24-18(3)23(21-8-6-7-9-22(21)26-24)25(29)28-16-14-27(5-2)15-17-28/h6-13H,4-5,14-17H2,1-3H3/p+1
InChIKeyFYBNUPKKEWZEPM-UHFFFAOYSA-O
MW388.54 g/mol
LogP3.13
Rot. Bonds4

About [2-(4-ethylphenyl)-3-methylquinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

[2-(4-ethylphenyl)-3-methylquinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone (PubChem CID 2220750) has the molecular formula C25H30N3O+ and a molecular weight of 388.54 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-3-methylquinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-3-methylquinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone
PubChem CID2220750
Molecular FormulaC25H30N3O+
Molecular Weight388.54 g/mol
Exact Mass388.24
IUPAC Name[2-(4-ethylphenyl)-3-methylquinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone
SMILESCCc1ccc(-c2nc3ccccc3c(C(=O)N3CC[NH+](CC)CC3)c2C)cc1
InChIInChI=1S/C25H29N3O/c1-4-19-10-12-20(13-11-19)24-18(3)23(21-8-6-7-9-22(21)26-24)25(29)28-16-14-27(5-2)15-17-28/h6-13H,4-5,14-17H2,1-3H3/p+1
InChIKeyFYBNUPKKEWZEPM-UHFFFAOYSA-O
XLogP3.13
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-ethylphenyl)-3-methylquinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 1261265
(4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone
CID 1023261
(3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone
CID 868745
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone
CID 2965435
2-[4-(3-methyl-2-phenylquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 100655590
(4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone
CID 4080449
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6105008
[4-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-phenylmethanone
CID 9348379
(2,6-difluorophenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone
CID 7285657
(4-ethylpiperazin-4-ium-1-yl)-(3-methylbenzo[g][1]benzofuran-2-yl)methanone
CID 9070915
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide
CID 4160455

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-3-methylquinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone?
The IUPAC name of [2-(4-ethylphenyl)-3-methylquinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone (CID 2220750) is [2-(4-ethylphenyl)-3-methylquinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone.
What is the SMILES notation for [2-(4-ethylphenyl)-3-methylquinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone?
The canonical SMILES for [2-(4-ethylphenyl)-3-methylquinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone is CCc1ccc(-c2nc3ccccc3c(C(=O)N3CC[NH+](CC)CC3)c2C)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-3-methylquinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone?
The InChIKey is FYBNUPKKEWZEPM-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H29N3O/c1-4-19-10-12-20(13-11-19)24-18(3)23(21-8-6-7-9-22(21)26-24)25(29)28-16-14-27(5-2)15-17-28/h6-13H,4-5,14-17H2,1-3H3/p+1.
What are the key properties of [2-(4-ethylphenyl)-3-methylquinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone?
[2-(4-ethylphenyl)-3-methylquinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone has a molecular weight of 388.54 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-3-methylquinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone is sourced from PubChem (CID 2220750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).