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

C12H13FN2O — CID 137190135

IUPAC6-fluoro-2-(2-methylpropyl)-3H-quinazolin-4-one
SMILESCC(C)Cc1nc2ccc(F)cc2c(=O)[nH]1
InChIInChI=1S/C12H13FN2O/c1-7(2)5-11-14-10-4-3-8(13)6-9(10)12(16)15-11/h3-4,6-7H,5H2,1-2H3,(H,14,15,16)
InChIKeyKBWJBFHVCGGEDE-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.26
Rot. Bonds2

About 6-fluoro-2-(2-methylpropyl)-3H-quinazolin-4-one

6-fluoro-2-(2-methylpropyl)-3H-quinazolin-4-one (PubChem CID 137190135) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 6-fluoro-2-(2-methylpropyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-(2-methylpropyl)-3H-quinazolin-4-one
PubChem CID137190135
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name6-fluoro-2-(2-methylpropyl)-3H-quinazolin-4-one
SMILESCC(C)Cc1nc2ccc(F)cc2c(=O)[nH]1
InChIInChI=1S/C12H13FN2O/c1-7(2)5-11-14-10-4-3-8(13)6-9(10)12(16)15-11/h3-4,6-7H,5H2,1-2H3,(H,14,15,16)
InChIKeyKBWJBFHVCGGEDE-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 6-fluoro-2-(2-methylpropyl)-3H-quinazolin-4-one?
The IUPAC name of 6-fluoro-2-(2-methylpropyl)-3H-quinazolin-4-one (CID 137190135) is 6-fluoro-2-(2-methylpropyl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-fluoro-2-(2-methylpropyl)-3H-quinazolin-4-one?
The canonical SMILES for 6-fluoro-2-(2-methylpropyl)-3H-quinazolin-4-one is CC(C)Cc1nc2ccc(F)cc2c(=O)[nH]1.
What is the InChIKey of 6-fluoro-2-(2-methylpropyl)-3H-quinazolin-4-one?
The InChIKey is KBWJBFHVCGGEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-7(2)5-11-14-10-4-3-8(13)6-9(10)12(16)15-11/h3-4,6-7H,5H2,1-2H3,(H,14,15,16).
What are the key properties of 6-fluoro-2-(2-methylpropyl)-3H-quinazolin-4-one?
6-fluoro-2-(2-methylpropyl)-3H-quinazolin-4-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 6-fluoro-2-(2-methylpropyl)-3H-quinazolin-4-one is sourced from PubChem (CID 137190135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).