1-ethyl-N-(furan-2-ylmethyl)-6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinoline-3-carboxamide

C23H27N3O5S — CID 3236790

IUPAC1-ethyl-N-(furan-2-ylmethyl)-6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21
InChIInChI=1S/C23H27N3O5S/c1-3-25-15-20(23(28)24-14-17-5-4-12-31-17)22(27)19-13-18(6-7-21(19)25)32(29,30)26-10-8-16(2)9-11-26/h4-7,12-13,15-16H,3,8-11,14H2,1-2H3,(H,24,28)
InChIKeyLQSFEWCAZFMVFB-UHFFFAOYSA-N
MW457.55 g/mol
LogP2.96
Rot. Bonds6

About 1-ethyl-N-(furan-2-ylmethyl)-6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinoline-3-carboxamide

1-ethyl-N-(furan-2-ylmethyl)-6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinoline-3-carboxamide (PubChem CID 3236790) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is 1-ethyl-N-(furan-2-ylmethyl)-6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(furan-2-ylmethyl)-6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinoline-3-carboxamide
PubChem CID3236790
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC Name1-ethyl-N-(furan-2-ylmethyl)-6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21
InChIInChI=1S/C23H27N3O5S/c1-3-25-15-20(23(28)24-14-17-5-4-12-31-17)22(27)19-13-18(6-7-21(19)25)32(29,30)26-10-8-16(2)9-11-26/h4-7,12-13,15-16H,3,8-11,14H2,1-2H3,(H,24,28)
InChIKeyLQSFEWCAZFMVFB-UHFFFAOYSA-N
XLogP2.96
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-N-(furan-2-ylmethyl)-6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinoline-3-carboxamide (CID 3236790) is 1-ethyl-N-(furan-2-ylmethyl)-6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(furan-2-ylmethyl)-6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(furan-2-ylmethyl)-6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21.
What is the InChIKey of 1-ethyl-N-(furan-2-ylmethyl)-6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinoline-3-carboxamide?
The InChIKey is LQSFEWCAZFMVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-3-25-15-20(23(28)24-14-17-5-4-12-31-17)22(27)19-13-18(6-7-21(19)25)32(29,30)26-10-8-16(2)9-11-26/h4-7,12-13,15-16H,3,8-11,14H2,1-2H3,(H,24,28).
What are the key properties of 1-ethyl-N-(furan-2-ylmethyl)-6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinoline-3-carboxamide?
1-ethyl-N-(furan-2-ylmethyl)-6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinoline-3-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(furan-2-ylmethyl)-6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 3236790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).