6-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)amino]-3-phenylquinazolin-4-one

C18H13FN4OS — CID 162498369

IUPAC6-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)amino]-3-phenylquinazolin-4-one
SMILESCc1nc(Nc2nc3ccc(F)cc3c(=O)n2-c2ccccc2)cs1
InChIInChI=1S/C18H13FN4OS/c1-11-20-16(10-25-11)22-18-21-15-8-7-12(19)9-14(15)17(24)23(18)13-5-3-2-4-6-13/h2-10H,1H3,(H,21,22)
InChIKeyWTDCXUPZWJQPDL-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.03
Rot. Bonds3

About 6-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)amino]-3-phenylquinazolin-4-one

6-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)amino]-3-phenylquinazolin-4-one (PubChem CID 162498369) has the molecular formula C18H13FN4OS and a molecular weight of 352.39 g/mol. Its IUPAC name is 6-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)amino]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)amino]-3-phenylquinazolin-4-one
PubChem CID162498369
Molecular FormulaC18H13FN4OS
Molecular Weight352.39 g/mol
Exact Mass352.08
IUPAC Name6-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)amino]-3-phenylquinazolin-4-one
SMILESCc1nc(Nc2nc3ccc(F)cc3c(=O)n2-c2ccccc2)cs1
InChIInChI=1S/C18H13FN4OS/c1-11-20-16(10-25-11)22-18-21-15-8-7-12(19)9-14(15)17(24)23(18)13-5-3-2-4-6-13/h2-10H,1H3,(H,21,22)
InChIKeyWTDCXUPZWJQPDL-UHFFFAOYSA-N
XLogP4.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one
CID 156896984
6-fluoro-2-[(3-methoxy-4-pyridinyl)amino]-3-phenylquinazolin-4-one
CID 162498372
2-[2-chloro-4-(hydroxymethyl)anilino]-6-fluoro-3-phenylquinazolin-4-one
CID 162495443
3-(3-bromophenyl)-6-fluoro-2-methylquinazolin-4-one
CID 172568153
3-(3-chlorophenyl)-6-fluoro-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498515
3-(4-aminophenyl)-6-fluoro-2-methylquinazolin-4-one
CID 171649552
6-fluoro-2-methyl-3-pyridin-3-ylquinazolin-4-one
CID 134445912
6-fluoro-3-(5-methoxy-3-pyridinyl)-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498509
6-chloro-3-phenyl-2-(pyrimidin-2-ylamino)quinazolin-4-one
CID 162498529
3-phenyl-2-(propan-2-ylamino)quinazolin-4-one
CID 11011362
6-fluoro-2-methyl-1-phenylbenzimidazole
CID 25216870
2-methyl-3,6-diphenylquinazolin-4-one
CID 155516068

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)amino]-3-phenylquinazolin-4-one?
The IUPAC name of 6-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)amino]-3-phenylquinazolin-4-one (CID 162498369) is 6-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)amino]-3-phenylquinazolin-4-one.
What is the SMILES notation for 6-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)amino]-3-phenylquinazolin-4-one?
The canonical SMILES for 6-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)amino]-3-phenylquinazolin-4-one is Cc1nc(Nc2nc3ccc(F)cc3c(=O)n2-c2ccccc2)cs1.
What is the InChIKey of 6-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)amino]-3-phenylquinazolin-4-one?
The InChIKey is WTDCXUPZWJQPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4OS/c1-11-20-16(10-25-11)22-18-21-15-8-7-12(19)9-14(15)17(24)23(18)13-5-3-2-4-6-13/h2-10H,1H3,(H,21,22).
What are the key properties of 6-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)amino]-3-phenylquinazolin-4-one?
6-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)amino]-3-phenylquinazolin-4-one has a molecular weight of 352.39 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)amino]-3-phenylquinazolin-4-one is sourced from PubChem (CID 162498369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).