[4-(6-ethoxy-2-methylquinolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone

C21H23N3O3 — CID 44587213

IUPAC[4-(6-ethoxy-2-methylquinolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCOc1ccc2nc(C)cc(N3CCN(C(=O)c4ccco4)CC3)c2c1
InChIInChI=1S/C21H23N3O3/c1-3-26-16-6-7-18-17(14-16)19(13-15(2)22-18)23-8-10-24(11-9-23)21(25)20-5-4-12-27-20/h4-7,12-14H,3,8-11H2,1-2H3
InChIKeySKIMAWJZDXFYKF-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.50
Rot. Bonds4

About [4-(6-ethoxy-2-methylquinolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(6-ethoxy-2-methylquinolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 44587213) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is [4-(6-ethoxy-2-methylquinolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(6-ethoxy-2-methylquinolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID44587213
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name[4-(6-ethoxy-2-methylquinolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCOc1ccc2nc(C)cc(N3CCN(C(=O)c4ccco4)CC3)c2c1
InChIInChI=1S/C21H23N3O3/c1-3-26-16-6-7-18-17(14-16)19(13-15(2)22-18)23-8-10-24(11-9-23)21(25)20-5-4-12-27-20/h4-7,12-14H,3,8-11H2,1-2H3
InChIKeySKIMAWJZDXFYKF-UHFFFAOYSA-N
XLogP3.50
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(6-ethoxy-2-methylquinolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(6-ethoxy-2-methylquinolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone (CID 44587213) is [4-(6-ethoxy-2-methylquinolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(6-ethoxy-2-methylquinolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(6-ethoxy-2-methylquinolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone is CCOc1ccc2nc(C)cc(N3CCN(C(=O)c4ccco4)CC3)c2c1.
What is the InChIKey of [4-(6-ethoxy-2-methylquinolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is SKIMAWJZDXFYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-26-16-6-7-18-17(14-16)19(13-15(2)22-18)23-8-10-24(11-9-23)21(25)20-5-4-12-27-20/h4-7,12-14H,3,8-11H2,1-2H3.
What are the key properties of [4-(6-ethoxy-2-methylquinolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(6-ethoxy-2-methylquinolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 365.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-ethoxy-2-methylquinolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 44587213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).