5-ethyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one

C23H21N3O4S — CID 5308590

IUPAC5-ethyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one
SMILESCCn1c(=O)c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)sc2c2ccccc21
InChIInChI=1S/C23H21N3O4S/c1-2-26-17-7-4-3-6-15(17)20-16(21(26)27)14-19(31-20)23(29)25-11-9-24(10-12-25)22(28)18-8-5-13-30-18/h3-8,13-14H,2,9-12H2,1H3
InChIKeyQVFIQCMJHSDWKI-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.43
Rot. Bonds3

About 5-ethyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one

5-ethyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one (PubChem CID 5308590) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 5-ethyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name5-ethyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one
PubChem CID5308590
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name5-ethyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one
SMILESCCn1c(=O)c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)sc2c2ccccc21
InChIInChI=1S/C23H21N3O4S/c1-2-26-17-7-4-3-6-15(17)20-16(21(26)27)14-19(31-20)23(29)25-11-9-24(10-12-25)22(28)18-8-5-13-30-18/h3-8,13-14H,2,9-12H2,1H3
InChIKeyQVFIQCMJHSDWKI-UHFFFAOYSA-N
XLogP3.43
TPSA75.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one?
The IUPAC name of 5-ethyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one (CID 5308590) is 5-ethyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one.
What is the SMILES notation for 5-ethyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one?
The canonical SMILES for 5-ethyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one is CCn1c(=O)c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)sc2c2ccccc21.
What is the InChIKey of 5-ethyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one?
The InChIKey is QVFIQCMJHSDWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-2-26-17-7-4-3-6-15(17)20-16(21(26)27)14-19(31-20)23(29)25-11-9-24(10-12-25)22(28)18-8-5-13-30-18/h3-8,13-14H,2,9-12H2,1H3.
What are the key properties of 5-ethyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one?
5-ethyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one has a molecular weight of 435.51 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one is sourced from PubChem (CID 5308590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).