6-fluoro-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]quinazolin-4-one

C23H18FN3O2S — CID 46598306

IUPAC6-fluoro-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2ccc(F)cc2c1=O)N1CCc2sccc2C1c1ccccc1
InChIInChI=1S/C23H18FN3O2S/c24-16-6-7-19-18(12-16)23(29)26(14-25-19)13-21(28)27-10-8-20-17(9-11-30-20)22(27)15-4-2-1-3-5-15/h1-7,9,11-12,14,22H,8,10,13H2
InChIKeyZRRCOGZSMOKHBO-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.77
Rot. Bonds3

About 6-fluoro-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]quinazolin-4-one

6-fluoro-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]quinazolin-4-one (PubChem CID 46598306) has the molecular formula C23H18FN3O2S and a molecular weight of 419.48 g/mol. Its IUPAC name is 6-fluoro-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]quinazolin-4-one
PubChem CID46598306
Molecular FormulaC23H18FN3O2S
Molecular Weight419.48 g/mol
Exact Mass419.11
IUPAC Name6-fluoro-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2ccc(F)cc2c1=O)N1CCc2sccc2C1c1ccccc1
InChIInChI=1S/C23H18FN3O2S/c24-16-6-7-19-18(12-16)23(29)26(14-25-19)13-21(28)27-10-8-20-17(9-11-30-20)22(27)15-4-2-1-3-5-15/h1-7,9,11-12,14,22H,8,10,13H2
InChIKeyZRRCOGZSMOKHBO-UHFFFAOYSA-N
XLogP3.77
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]quinazolin-4-one with MolForge

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Related Compounds

1,3-dimethyl-7-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]purine-2,6-dione
CID 17471825
methyl 5-[2-(4-oxoquinazolin-3-yl)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565229
(2,4-difluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 41130082
N-benzyl-1-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxamide
CID 46402429
3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazolidin-2-one
CID 18093681
4-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazol-2-one
CID 17492440
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylsulfanylethanone
CID 55429579
3-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 42920440
3-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]quinazolin-4-one
CID 51280886
(4R)-N-(4-fluorophenyl)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51925621
4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanal
CID 87516306
3-cyclopropyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 157330054

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]quinazolin-4-one?
The IUPAC name of 6-fluoro-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]quinazolin-4-one (CID 46598306) is 6-fluoro-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]quinazolin-4-one.
What is the SMILES notation for 6-fluoro-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]quinazolin-4-one?
The canonical SMILES for 6-fluoro-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]quinazolin-4-one is O=C(Cn1cnc2ccc(F)cc2c1=O)N1CCc2sccc2C1c1ccccc1.
What is the InChIKey of 6-fluoro-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]quinazolin-4-one?
The InChIKey is ZRRCOGZSMOKHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2S/c24-16-6-7-19-18(12-16)23(29)26(14-25-19)13-21(28)27-10-8-20-17(9-11-30-20)22(27)15-4-2-1-3-5-15/h1-7,9,11-12,14,22H,8,10,13H2.
What are the key properties of 6-fluoro-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]quinazolin-4-one?
6-fluoro-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]quinazolin-4-one has a molecular weight of 419.48 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]quinazolin-4-one is sourced from PubChem (CID 46598306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).