7,8-dimethyl-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]chromen-2-one

C20H21NO2S — CID 9000341

IUPAC7,8-dimethyl-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]chromen-2-one
SMILESCc1ccc2c(CN3CCc4sccc4[C@@H]3C)cc(=O)oc2c1C
InChIInChI=1S/C20H21NO2S/c1-12-4-5-17-15(10-19(22)23-20(17)13(12)2)11-21-8-6-18-16(14(21)3)7-9-24-18/h4-5,7,9-10,14H,6,8,11H2,1-3H3/t14-/m0/s1
InChIKeyAAOVVNINZJBJMF-AWEZNQCLSA-N
MW339.46 g/mol
LogP4.59
Rot. Bonds2

About 7,8-dimethyl-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]chromen-2-one

7,8-dimethyl-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]chromen-2-one (PubChem CID 9000341) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is 7,8-dimethyl-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]chromen-2-one.

Molecular Properties

Compound Name7,8-dimethyl-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]chromen-2-one
PubChem CID9000341
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC Name7,8-dimethyl-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]chromen-2-one
SMILESCc1ccc2c(CN3CCc4sccc4[C@@H]3C)cc(=O)oc2c1C
InChIInChI=1S/C20H21NO2S/c1-12-4-5-17-15(10-19(22)23-20(17)13(12)2)11-21-8-6-18-16(14(21)3)7-9-24-18/h4-5,7,9-10,14H,6,8,11H2,1-3H3/t14-/m0/s1
InChIKeyAAOVVNINZJBJMF-AWEZNQCLSA-N
XLogP4.59
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 7,8-dimethyl-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]chromen-2-one 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

7,8-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one
CID 3924084
4-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-6,7-dimethylchromen-2-one
CID 8999601
5-methyl-4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]thiophene-2-carboxylic acid
CID 80727247
3-methyl-4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzenecarbothioamide
CID 114481875
4-(bromomethyl)-7,8-dimethylchromen-2-one
CID 91484430
4-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-7-hydroxychromen-2-one
CID 9002494
4-chloro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]aniline
CID 79583191
[4-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phenyl]methanamine
CID 64767942
4-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one
CID 9261901
7,8-dimethyl-4-[(6-methyl-1-oxo-1,4-thiazepan-4-yl)methyl]chromen-2-one
CID 119035625
2-[4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phenyl]acetic acid
CID 105345909
7,8-dimethyl-4-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one
CID 2044963

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]chromen-2-one?
The IUPAC name of 7,8-dimethyl-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]chromen-2-one (CID 9000341) is 7,8-dimethyl-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]chromen-2-one.
What is the SMILES notation for 7,8-dimethyl-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]chromen-2-one?
The canonical SMILES for 7,8-dimethyl-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]chromen-2-one is Cc1ccc2c(CN3CCc4sccc4[C@@H]3C)cc(=O)oc2c1C.
What is the InChIKey of 7,8-dimethyl-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]chromen-2-one?
The InChIKey is AAOVVNINZJBJMF-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21NO2S/c1-12-4-5-17-15(10-19(22)23-20(17)13(12)2)11-21-8-6-18-16(14(21)3)7-9-24-18/h4-5,7,9-10,14H,6,8,11H2,1-3H3/t14-/m0/s1.
What are the key properties of 7,8-dimethyl-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]chromen-2-one?
7,8-dimethyl-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]chromen-2-one has a molecular weight of 339.46 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]chromen-2-one is sourced from PubChem (CID 9000341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).