(4-ethylpiperazin-1-yl)-(2-methyl-8-phenylquinolin-4-yl)methanone

C23H25N3O — CID 50788828

IUPAC(4-ethylpiperazin-1-yl)-(2-methyl-8-phenylquinolin-4-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(C)nc3c(-c4ccccc4)cccc23)CC1
InChIInChI=1S/C23H25N3O/c1-3-25-12-14-26(15-13-25)23(27)21-16-17(2)24-22-19(10-7-11-20(21)22)18-8-5-4-6-9-18/h4-11,16H,3,12-15H2,1-2H3
InChIKeyDXZIWKFEHQJZJW-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.99
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-(2-methyl-8-phenylquinolin-4-yl)methanone

(4-ethylpiperazin-1-yl)-(2-methyl-8-phenylquinolin-4-yl)methanone (PubChem CID 50788828) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(2-methyl-8-phenylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(2-methyl-8-phenylquinolin-4-yl)methanone
PubChem CID50788828
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name(4-ethylpiperazin-1-yl)-(2-methyl-8-phenylquinolin-4-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(C)nc3c(-c4ccccc4)cccc23)CC1
InChIInChI=1S/C23H25N3O/c1-3-25-12-14-26(15-13-25)23(27)21-16-17(2)24-22-19(10-7-11-20(21)22)18-8-5-4-6-9-18/h4-11,16H,3,12-15H2,1-2H3
InChIKeyDXZIWKFEHQJZJW-UHFFFAOYSA-N
XLogP3.99
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 4202012
(2-methyl-8-thiophen-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 46383049
(2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone
CID 50765986
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
(2,8-dimethylquinolin-4-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 96572515
N-[3-(diethylamino)propyl]-2-methyl-8-phenylquinoline-4-carboxamide
CID 46334607
1,3-dihydroisoindol-2-yl-(2,8-dimethylquinolin-4-yl)methanone
CID 70719076
[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 35330467
(4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone
CID 136553583
[2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 2220935
(4-ethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 78791094
[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 4259485

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(2-methyl-8-phenylquinolin-4-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(2-methyl-8-phenylquinolin-4-yl)methanone (CID 50788828) is (4-ethylpiperazin-1-yl)-(2-methyl-8-phenylquinolin-4-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(2-methyl-8-phenylquinolin-4-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(2-methyl-8-phenylquinolin-4-yl)methanone is CCN1CCN(C(=O)c2cc(C)nc3c(-c4ccccc4)cccc23)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(2-methyl-8-phenylquinolin-4-yl)methanone?
The InChIKey is DXZIWKFEHQJZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-3-25-12-14-26(15-13-25)23(27)21-16-17(2)24-22-19(10-7-11-20(21)22)18-8-5-4-6-9-18/h4-11,16H,3,12-15H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(2-methyl-8-phenylquinolin-4-yl)methanone?
(4-ethylpiperazin-1-yl)-(2-methyl-8-phenylquinolin-4-yl)methanone has a molecular weight of 359.47 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(2-methyl-8-phenylquinolin-4-yl)methanone is sourced from PubChem (CID 50788828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).