8-fluoro-4-(2-methylpropyl)-3H-quinazolin-2-one

C12H13FN2O — CID 105475454

IUPAC8-fluoro-4-(2-methylpropyl)-3H-quinazolin-2-one
SMILESCC(C)Cc1[nH]c(=O)nc2c(F)cccc12
InChIInChI=1S/C12H13FN2O/c1-7(2)6-10-8-4-3-5-9(13)11(8)15-12(16)14-10/h3-5,7H,6H2,1-2H3,(H,14,15,16)
InChIKeyRRHNCYSOPXRLAU-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.26
Rot. Bonds2

About 8-fluoro-4-(2-methylpropyl)-3H-quinazolin-2-one

8-fluoro-4-(2-methylpropyl)-3H-quinazolin-2-one (PubChem CID 105475454) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 8-fluoro-4-(2-methylpropyl)-3H-quinazolin-2-one.

Molecular Properties

Compound Name8-fluoro-4-(2-methylpropyl)-3H-quinazolin-2-one
PubChem CID105475454
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name8-fluoro-4-(2-methylpropyl)-3H-quinazolin-2-one
SMILESCC(C)Cc1[nH]c(=O)nc2c(F)cccc12
InChIInChI=1S/C12H13FN2O/c1-7(2)6-10-8-4-3-5-9(13)11(8)15-12(16)14-10/h3-5,7H,6H2,1-2H3,(H,14,15,16)
InChIKeyRRHNCYSOPXRLAU-UHFFFAOYSA-N
XLogP2.26
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-(2-methylpropyl)-3H-quinazolin-2-one?
The IUPAC name of 8-fluoro-4-(2-methylpropyl)-3H-quinazolin-2-one (CID 105475454) is 8-fluoro-4-(2-methylpropyl)-3H-quinazolin-2-one.
What is the SMILES notation for 8-fluoro-4-(2-methylpropyl)-3H-quinazolin-2-one?
The canonical SMILES for 8-fluoro-4-(2-methylpropyl)-3H-quinazolin-2-one is CC(C)Cc1[nH]c(=O)nc2c(F)cccc12.
What is the InChIKey of 8-fluoro-4-(2-methylpropyl)-3H-quinazolin-2-one?
The InChIKey is RRHNCYSOPXRLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-7(2)6-10-8-4-3-5-9(13)11(8)15-12(16)14-10/h3-5,7H,6H2,1-2H3,(H,14,15,16).
What are the key properties of 8-fluoro-4-(2-methylpropyl)-3H-quinazolin-2-one?
8-fluoro-4-(2-methylpropyl)-3H-quinazolin-2-one has a molecular weight of 220.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-(2-methylpropyl)-3H-quinazolin-2-one is sourced from PubChem (CID 105475454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).