(4-ethoxyphenyl)-[4-(4-ethylpiperazin-1-yl)quinolin-3-yl]methanone

C24H27N3O2 — CID 7183668

IUPAC(4-ethoxyphenyl)-[4-(4-ethylpiperazin-1-yl)quinolin-3-yl]methanone
SMILESCCOc1ccc(C(=O)c2cnc3ccccc3c2N2CCN(CC)CC2)cc1
InChIInChI=1S/C24H27N3O2/c1-3-26-13-15-27(16-14-26)23-20-7-5-6-8-22(20)25-17-21(23)24(28)18-9-11-19(12-10-18)29-4-2/h5-12,17H,3-4,13-16H2,1-2H3
InChIKeyMOFBYYKEYCJINR-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.01
Rot. Bonds6

About (4-ethoxyphenyl)-[4-(4-ethylpiperazin-1-yl)quinolin-3-yl]methanone

(4-ethoxyphenyl)-[4-(4-ethylpiperazin-1-yl)quinolin-3-yl]methanone (PubChem CID 7183668) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[4-(4-ethylpiperazin-1-yl)quinolin-3-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[4-(4-ethylpiperazin-1-yl)quinolin-3-yl]methanone
PubChem CID7183668
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name(4-ethoxyphenyl)-[4-(4-ethylpiperazin-1-yl)quinolin-3-yl]methanone
SMILESCCOc1ccc(C(=O)c2cnc3ccccc3c2N2CCN(CC)CC2)cc1
InChIInChI=1S/C24H27N3O2/c1-3-26-13-15-27(16-14-26)23-20-7-5-6-8-22(20)25-17-21(23)24(28)18-9-11-19(12-10-18)29-4-2/h5-12,17H,3-4,13-16H2,1-2H3
InChIKeyMOFBYYKEYCJINR-UHFFFAOYSA-N
XLogP4.01
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(azepan-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone
CID 20882559
(3,4-dimethylphenyl)-[4-(4-ethylpiperazin-1-yl)-6-methylquinolin-3-yl]methanone
CID 6625258
ethyl 4-thiomorpholin-4-ylquinoline-3-carboxylate
CID 52805665
ethyl 4-piperazin-1-ylquinoline-3-carboxylate
CID 13295826
ethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate
CID 133277711
ethyl 4-(4-ethyl-1,4-diazepan-1-yl)-6-methoxyquinoline-3-carboxylate
CID 133388687
[6-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-(4-methoxyphenyl)methanone
CID 20882587
1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047501
(4-ethoxyphenyl)-[4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]methanone
CID 7183667
[4-(3,4-dimethylphenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone
CID 2151438
ethyl 6-ethoxy-4-piperazin-1-ylquinoline-3-carboxylate
CID 66487373
4-(3-ethylpiperidin-1-yl)quinoline-3-carboxylic acid
CID 61340983

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[4-(4-ethylpiperazin-1-yl)quinolin-3-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[4-(4-ethylpiperazin-1-yl)quinolin-3-yl]methanone (CID 7183668) is (4-ethoxyphenyl)-[4-(4-ethylpiperazin-1-yl)quinolin-3-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[4-(4-ethylpiperazin-1-yl)quinolin-3-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[4-(4-ethylpiperazin-1-yl)quinolin-3-yl]methanone is CCOc1ccc(C(=O)c2cnc3ccccc3c2N2CCN(CC)CC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[4-(4-ethylpiperazin-1-yl)quinolin-3-yl]methanone?
The InChIKey is MOFBYYKEYCJINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-3-26-13-15-27(16-14-26)23-20-7-5-6-8-22(20)25-17-21(23)24(28)18-9-11-19(12-10-18)29-4-2/h5-12,17H,3-4,13-16H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-[4-(4-ethylpiperazin-1-yl)quinolin-3-yl]methanone?
(4-ethoxyphenyl)-[4-(4-ethylpiperazin-1-yl)quinolin-3-yl]methanone has a molecular weight of 389.50 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[4-(4-ethylpiperazin-1-yl)quinolin-3-yl]methanone is sourced from PubChem (CID 7183668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).