7-fluoro-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one

C15H14FN3OS — CID 38875931

IUPAC7-fluoro-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one
SMILESCC(C)c1nc(Cn2cnc3cc(F)ccc3c2=O)cs1
InChIInChI=1S/C15H14FN3OS/c1-9(2)14-18-11(7-21-14)6-19-8-17-13-5-10(16)3-4-12(13)15(19)20/h3-5,7-9H,6H2,1-2H3
InChIKeyKPOABUREIRDCOG-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.16
Rot. Bonds3

About 7-fluoro-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one

7-fluoro-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one (PubChem CID 38875931) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is 7-fluoro-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one
PubChem CID38875931
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC Name7-fluoro-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one
SMILESCC(C)c1nc(Cn2cnc3cc(F)ccc3c2=O)cs1
InChIInChI=1S/C15H14FN3OS/c1-9(2)14-18-11(7-21-14)6-19-8-17-13-5-10(16)3-4-12(13)15(19)20/h3-5,7-9H,6H2,1-2H3
InChIKeyKPOABUREIRDCOG-UHFFFAOYSA-N
XLogP3.16
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one (CID 38875931) is 7-fluoro-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one is CC(C)c1nc(Cn2cnc3cc(F)ccc3c2=O)cs1.
What is the InChIKey of 7-fluoro-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one?
The InChIKey is KPOABUREIRDCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c1-9(2)14-18-11(7-21-14)6-19-8-17-13-5-10(16)3-4-12(13)15(19)20/h3-5,7-9H,6H2,1-2H3.
What are the key properties of 7-fluoro-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one?
7-fluoro-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one has a molecular weight of 303.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 38875931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).