(3,4-dimethylphenyl)-[4-(4-ethylpiperazin-1-yl)-6-methylquinolin-3-yl]methanone

C25H29N3O — CID 6625258

IUPAC(3,4-dimethylphenyl)-[4-(4-ethylpiperazin-1-yl)-6-methylquinolin-3-yl]methanone
SMILESCCN1CCN(c2c(C(=O)c3ccc(C)c(C)c3)cnc3ccc(C)cc23)CC1
InChIInChI=1S/C25H29N3O/c1-5-27-10-12-28(13-11-27)24-21-14-17(2)6-9-23(21)26-16-22(24)25(29)20-8-7-18(3)19(4)15-20/h6-9,14-16H,5,10-13H2,1-4H3
InChIKeyUEWXUZTZLLXZHX-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.53
Rot. Bonds4

About (3,4-dimethylphenyl)-[4-(4-ethylpiperazin-1-yl)-6-methylquinolin-3-yl]methanone

(3,4-dimethylphenyl)-[4-(4-ethylpiperazin-1-yl)-6-methylquinolin-3-yl]methanone (PubChem CID 6625258) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[4-(4-ethylpiperazin-1-yl)-6-methylquinolin-3-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[4-(4-ethylpiperazin-1-yl)-6-methylquinolin-3-yl]methanone
PubChem CID6625258
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name(3,4-dimethylphenyl)-[4-(4-ethylpiperazin-1-yl)-6-methylquinolin-3-yl]methanone
SMILESCCN1CCN(c2c(C(=O)c3ccc(C)c(C)c3)cnc3ccc(C)cc23)CC1
InChIInChI=1S/C25H29N3O/c1-5-27-10-12-28(13-11-27)24-21-14-17(2)6-9-23(21)26-16-22(24)25(29)20-8-7-18(3)19(4)15-20/h6-9,14-16H,5,10-13H2,1-4H3
InChIKeyUEWXUZTZLLXZHX-UHFFFAOYSA-N
XLogP4.53
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,4-dimethylphenyl)-[4-(4-ethylpiperazin-1-yl)-6-methylquinolin-3-yl]methanone with MolForge

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Related Compounds

1-[3-(3,4-dimethylbenzoyl)-6-methylquinolin-4-yl]piperidine-4-carboxamide
CID 7184455
(4-ethoxyphenyl)-[4-(4-ethylpiperazin-1-yl)quinolin-3-yl]methanone
CID 7183668
[9-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-phenylmethanone;hydrochloride
CID 126851124
ethyl 4-(4-ethyl-1,4-diazepan-1-yl)-6-methoxyquinoline-3-carboxylate
CID 133388687
3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-(4-ethylpiperazin-1-yl)quinoline
CID 16807334
3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline
CID 16807335
ethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-6-methylquinoline-3-carboxylate
CID 133410698
4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinoline
CID 16807320
[6-fluoro-4-(4-phenylpiperazin-1-yl)quinolin-3-yl]-phenylmethanone;hydrochloride
CID 126851117
[6-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-(4-methoxyphenyl)methanone
CID 20882587
4-[4-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]piperidin-1-yl]-N,6-dimethyl-N-(4-methylphenyl)quinolin-3-amine
CID 156728179
3-(benzenesulfonyl)-4-(4-ethylpiperazin-1-yl)-6-fluoroquinoline
CID 20882619

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[4-(4-ethylpiperazin-1-yl)-6-methylquinolin-3-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[4-(4-ethylpiperazin-1-yl)-6-methylquinolin-3-yl]methanone (CID 6625258) is (3,4-dimethylphenyl)-[4-(4-ethylpiperazin-1-yl)-6-methylquinolin-3-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[4-(4-ethylpiperazin-1-yl)-6-methylquinolin-3-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[4-(4-ethylpiperazin-1-yl)-6-methylquinolin-3-yl]methanone is CCN1CCN(c2c(C(=O)c3ccc(C)c(C)c3)cnc3ccc(C)cc23)CC1.
What is the InChIKey of (3,4-dimethylphenyl)-[4-(4-ethylpiperazin-1-yl)-6-methylquinolin-3-yl]methanone?
The InChIKey is UEWXUZTZLLXZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-5-27-10-12-28(13-11-27)24-21-14-17(2)6-9-23(21)26-16-22(24)25(29)20-8-7-18(3)19(4)15-20/h6-9,14-16H,5,10-13H2,1-4H3.
What are the key properties of (3,4-dimethylphenyl)-[4-(4-ethylpiperazin-1-yl)-6-methylquinolin-3-yl]methanone?
(3,4-dimethylphenyl)-[4-(4-ethylpiperazin-1-yl)-6-methylquinolin-3-yl]methanone has a molecular weight of 387.53 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[4-(4-ethylpiperazin-1-yl)-6-methylquinolin-3-yl]methanone is sourced from PubChem (CID 6625258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).