(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone

C23H25N3O — CID 4202012

IUPAC(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)CC1
InChIInChI=1S/C23H25N3O/c1-3-25-12-14-26(15-13-25)23(27)20-16-22(18-10-8-17(2)9-11-18)24-21-7-5-4-6-19(20)21/h4-11,16H,3,12-15H2,1-2H3
InChIKeyDYMSJQLQPBZJIA-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.99
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone

(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone (PubChem CID 4202012) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone
PubChem CID4202012
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)CC1
InChIInChI=1S/C23H25N3O/c1-3-25-12-14-26(15-13-25)23(27)20-16-22(18-10-8-17(2)9-11-18)24-21-7-5-4-6-19(20)21/h4-11,16H,3,12-15H2,1-2H3
InChIKeyDYMSJQLQPBZJIA-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

1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 4259485
N,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]acetamide
CID 46653075
[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 4586470
N,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 38417891
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 39979125
[2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 2965693
[2-(4-phenylphenyl)quinolin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 175976481
[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 35330467
azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone
CID 7677683
N,N-diethyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-sulfonamide
CID 24584448
(4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone
CID 136553583

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone (CID 4202012) is (4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone is CCN1CCN(C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone?
The InChIKey is DYMSJQLQPBZJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-3-25-12-14-26(15-13-25)23(27)20-16-22(18-10-8-17(2)9-11-18)24-21-7-5-4-6-19(20)21/h4-11,16H,3,12-15H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone?
(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-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-(4-methylphenyl)quinolin-4-yl]methanone is sourced from PubChem (CID 4202012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).