6-(dimethylamino)-7-fluoro-2-methyl-3H-quinazolin-4-one

C11H12FN3O — CID 165489014

IUPAC6-(dimethylamino)-7-fluoro-2-methyl-3H-quinazolin-4-one
SMILESCc1nc2cc(F)c(N(C)C)cc2c(=O)[nH]1
InChIInChI=1S/C11H12FN3O/c1-6-13-9-5-8(12)10(15(2)3)4-7(9)11(16)14-6/h4-5H,1-3H3,(H,13,14,16)
InChIKeyWXEMTJYLFGXEMQ-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.44
Rot. Bonds1

About 6-(dimethylamino)-7-fluoro-2-methyl-3H-quinazolin-4-one

6-(dimethylamino)-7-fluoro-2-methyl-3H-quinazolin-4-one (PubChem CID 165489014) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is 6-(dimethylamino)-7-fluoro-2-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(dimethylamino)-7-fluoro-2-methyl-3H-quinazolin-4-one
PubChem CID165489014
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name6-(dimethylamino)-7-fluoro-2-methyl-3H-quinazolin-4-one
SMILESCc1nc2cc(F)c(N(C)C)cc2c(=O)[nH]1
InChIInChI=1S/C11H12FN3O/c1-6-13-9-5-8(12)10(15(2)3)4-7(9)11(16)14-6/h4-5H,1-3H3,(H,13,14,16)
InChIKeyWXEMTJYLFGXEMQ-UHFFFAOYSA-N
XLogP1.44
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-7-fluoro-2-methyl-3H-quinazolin-4-one?
The IUPAC name of 6-(dimethylamino)-7-fluoro-2-methyl-3H-quinazolin-4-one (CID 165489014) is 6-(dimethylamino)-7-fluoro-2-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 6-(dimethylamino)-7-fluoro-2-methyl-3H-quinazolin-4-one?
The canonical SMILES for 6-(dimethylamino)-7-fluoro-2-methyl-3H-quinazolin-4-one is Cc1nc2cc(F)c(N(C)C)cc2c(=O)[nH]1.
What is the InChIKey of 6-(dimethylamino)-7-fluoro-2-methyl-3H-quinazolin-4-one?
The InChIKey is WXEMTJYLFGXEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-6-13-9-5-8(12)10(15(2)3)4-7(9)11(16)14-6/h4-5H,1-3H3,(H,13,14,16).
What are the key properties of 6-(dimethylamino)-7-fluoro-2-methyl-3H-quinazolin-4-one?
6-(dimethylamino)-7-fluoro-2-methyl-3H-quinazolin-4-one has a molecular weight of 221.23 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-7-fluoro-2-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 165489014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).