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

C23H25N3O2 — CID 6625000

IUPAC[4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone
SMILESCCN1CCN(c2c(C(=O)c3ccc(OC)cc3)cnc3ccccc23)CC1
InChIInChI=1S/C23H25N3O2/c1-3-25-12-14-26(15-13-25)22-19-6-4-5-7-21(19)24-16-20(22)23(27)17-8-10-18(28-2)11-9-17/h4-11,16H,3,12-15H2,1-2H3
InChIKeyHHGTZGAURBKQTF-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.62
Rot. Bonds5

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

[4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 6625000) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is [4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone
PubChem CID6625000
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name[4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone
SMILESCCN1CCN(c2c(C(=O)c3ccc(OC)cc3)cnc3ccccc23)CC1
InChIInChI=1S/C23H25N3O2/c1-3-25-12-14-26(15-13-25)22-19-6-4-5-7-21(19)24-16-20(22)23(27)17-8-10-18(28-2)11-9-17/h4-11,16H,3,12-15H2,1-2H3
InChIKeyHHGTZGAURBKQTF-UHFFFAOYSA-N
XLogP3.62
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone (CID 6625000) is [4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone is CCN1CCN(c2c(C(=O)c3ccc(OC)cc3)cnc3ccccc23)CC1.
What is the InChIKey of [4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is HHGTZGAURBKQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-3-25-12-14-26(15-13-25)22-19-6-4-5-7-21(19)24-16-20(22)23(27)17-8-10-18(28-2)11-9-17/h4-11,16H,3,12-15H2,1-2H3.
What are the key properties of [4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone?
[4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 375.47 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 6625000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).