Skip to content

Flavoxate

C24H25NO4 — CID 3354

💊View drug profile → flavoxate

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
SMILESCc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O
InChIInChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3
InChIKeySPIUTQOUKAMGCX-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.41
Rot. Bonds5

About Flavoxate

Flavoxate (PubChem CID 3354) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate.

Molecular Properties

Compound NameFlavoxate
PubChem CID3354
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
SMILESCc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O
InChIInChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3
InChIKeySPIUTQOUKAMGCX-UHFFFAOYSA-N
XLogP4.41
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze Flavoxate with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one
CID 3973
Etafenone
CID 3275
2-Morpholin-4-yl-8-phenylchromen-4-one;hydrochloride
CID 11957589
8-(4-Acetylphenyl)-2-morpholin-4-ylchromen-4-one
CID 11710022
2-(4-Benzyl-piperidin-1-ylmethyl)-chroman-4-one
CID 11245709
6,6-Bis(3-methyl-4-methoxy-5-methoxycarbonylphenyl)-1-piperidylhex-5-en-1-one
CID 503132
2-morpholino-8-(2-phenylethynyl)-4H-chromen-4-one
CID 10359339

Frequently Asked Questions

What is the IUPAC name of Flavoxate?
The IUPAC name of Flavoxate (CID 3354) is 2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate.
What is the SMILES notation for Flavoxate?
The canonical SMILES for Flavoxate is Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O.
What is the InChIKey of Flavoxate?
The InChIKey is SPIUTQOUKAMGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3.
What are the key properties of Flavoxate?
Flavoxate has a molecular weight of 391.47 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Flavoxate is sourced from PubChem (CID 3354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: F · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.