8-fluoro-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one

C19H14FN3OS — CID 167903723

IUPAC8-fluoro-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one
SMILESCc1nc(-c2ccccc2)sc1Cn1cnc2c(F)cccc2c1=O
InChIInChI=1S/C19H14FN3OS/c1-12-16(25-18(22-12)13-6-3-2-4-7-13)10-23-11-21-17-14(19(23)24)8-5-9-15(17)20/h2-9,11H,10H2,1H3
InChIKeyBFCBIIZCLZIDID-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.02
Rot. Bonds3

About 8-fluoro-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one

8-fluoro-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one (PubChem CID 167903723) has the molecular formula C19H14FN3OS and a molecular weight of 351.41 g/mol. Its IUPAC name is 8-fluoro-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name8-fluoro-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one
PubChem CID167903723
Molecular FormulaC19H14FN3OS
Molecular Weight351.41 g/mol
Exact Mass351.08
IUPAC Name8-fluoro-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one
SMILESCc1nc(-c2ccccc2)sc1Cn1cnc2c(F)cccc2c1=O
InChIInChI=1S/C19H14FN3OS/c1-12-16(25-18(22-12)13-6-3-2-4-7-13)10-23-11-21-17-14(19(23)24)8-5-9-15(17)20/h2-9,11H,10H2,1H3
InChIKeyBFCBIIZCLZIDID-UHFFFAOYSA-N
XLogP4.02
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one
CID 117264812
5,6-dimethyl-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-oxopyridazine-4-carbonitrile
CID 51106408
3-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 167950484
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
3-[2-(2-fluorophenyl)-2-hydroxyethyl]-8-methylquinazolin-4-one
CID 111149302
2-(4-fluorophenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546282
4-methyl-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 34391804
3-(2-fluoroethyl)-8-methylquinazolin-4-one
CID 71007475
3-[(4-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 16577259
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171913094
3-[(2-bromo-4-methyl-1,3-thiazol-5-yl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 166301450
1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-ol
CID 110921340

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one?
The IUPAC name of 8-fluoro-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one (CID 167903723) is 8-fluoro-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 8-fluoro-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one?
The canonical SMILES for 8-fluoro-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one is Cc1nc(-c2ccccc2)sc1Cn1cnc2c(F)cccc2c1=O.
What is the InChIKey of 8-fluoro-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one?
The InChIKey is BFCBIIZCLZIDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3OS/c1-12-16(25-18(22-12)13-6-3-2-4-7-13)10-23-11-21-17-14(19(23)24)8-5-9-15(17)20/h2-9,11H,10H2,1H3.
What are the key properties of 8-fluoro-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one?
8-fluoro-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one has a molecular weight of 351.41 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 167903723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).