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

C25H29N3O3 — CID 7183662

IUPAC[6-ethoxy-4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone
SMILESCCOc1ccc2ncc(C(=O)c3ccc(OC)cc3)c(N3CCN(CC)CC3)c2c1
InChIInChI=1S/C25H29N3O3/c1-4-27-12-14-28(15-13-27)24-21-16-20(31-5-2)10-11-23(21)26-17-22(24)25(29)18-6-8-19(30-3)9-7-18/h6-11,16-17H,4-5,12-15H2,1-3H3
InChIKeyVZXSAJUGGVLVHT-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.01
Rot. Bonds7

About [6-ethoxy-4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone

[6-ethoxy-4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 7183662) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is [6-ethoxy-4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[6-ethoxy-4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone
PubChem CID7183662
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name[6-ethoxy-4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone
SMILESCCOc1ccc2ncc(C(=O)c3ccc(OC)cc3)c(N3CCN(CC)CC3)c2c1
InChIInChI=1S/C25H29N3O3/c1-4-27-12-14-28(15-13-27)24-21-16-20(31-5-2)10-11-23(21)26-17-22(24)25(29)18-6-8-19(30-3)9-7-18/h6-11,16-17H,4-5,12-15H2,1-3H3
InChIKeyVZXSAJUGGVLVHT-UHFFFAOYSA-N
XLogP4.01
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-ethoxy-4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [6-ethoxy-4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone (CID 7183662) is [6-ethoxy-4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [6-ethoxy-4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [6-ethoxy-4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone is CCOc1ccc2ncc(C(=O)c3ccc(OC)cc3)c(N3CCN(CC)CC3)c2c1.
What is the InChIKey of [6-ethoxy-4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is VZXSAJUGGVLVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-4-27-12-14-28(15-13-27)24-21-16-20(31-5-2)10-11-23(21)26-17-22(24)25(29)18-6-8-19(30-3)9-7-18/h6-11,16-17H,4-5,12-15H2,1-3H3.
What are the key properties of [6-ethoxy-4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone?
[6-ethoxy-4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 419.53 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethoxy-4-(4-ethylpiperazin-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 7183662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).