7-(2,2-difluoroethyl)-3H-quinazolin-4-one

C10H8F2N2O — CID 155734124

IUPAC7-(2,2-difluoroethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2cc(CC(F)F)ccc12
InChIInChI=1S/C10H8F2N2O/c11-9(12)4-6-1-2-7-8(3-6)13-5-14-10(7)15/h1-3,5,9H,4H2,(H,13,14,15)
InChIKeyOIOUTPVWKARXPO-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.73
Rot. Bonds2

About 7-(2,2-difluoroethyl)-3H-quinazolin-4-one

7-(2,2-difluoroethyl)-3H-quinazolin-4-one (PubChem CID 155734124) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is 7-(2,2-difluoroethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-(2,2-difluoroethyl)-3H-quinazolin-4-one
PubChem CID155734124
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC Name7-(2,2-difluoroethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2cc(CC(F)F)ccc12
InChIInChI=1S/C10H8F2N2O/c11-9(12)4-6-1-2-7-8(3-6)13-5-14-10(7)15/h1-3,5,9H,4H2,(H,13,14,15)
InChIKeyOIOUTPVWKARXPO-UHFFFAOYSA-N
XLogP1.73
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-[(3R)-3-amino-2-oxo-3-phenylpropyl]-3H-quinazolin-4-one
CID 148905393
ethane;7-methyl-3H-quinazolin-4-one
CID 143636831
7-(2-bromoacetyl)-3H-quinazolin-4-one
CID 135714637
5-amino-4-[4-(2,2-difluoroethyl)phenoxy]-1H-pyrimidin-6-one
CID 146290875
7-(1,2-dihydroxy-3-sulfanylpropyl)-3H-quinazolin-4-one
CID 170820639
7-(1-nitrosoethyl)-3H-quinazolin-4-one
CID 137028703
ethane;6-ethyl-3H-quinazolin-4-one
CID 143716071
ethane;7-phenylmethoxy-3H-quinazolin-4-one
CID 136656815
7-(3-sulfanylprop-1-ynyl)-3H-quinazolin-4-one
CID 169487286
methane;3H-quinazolin-4-one
CID 143348425
7-fluoro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135456619
7-azido-3H-quinazolin-4-one
CID 135788475

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-difluoroethyl)-3H-quinazolin-4-one?
The IUPAC name of 7-(2,2-difluoroethyl)-3H-quinazolin-4-one (CID 155734124) is 7-(2,2-difluoroethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 7-(2,2-difluoroethyl)-3H-quinazolin-4-one?
The canonical SMILES for 7-(2,2-difluoroethyl)-3H-quinazolin-4-one is O=c1[nH]cnc2cc(CC(F)F)ccc12.
What is the InChIKey of 7-(2,2-difluoroethyl)-3H-quinazolin-4-one?
The InChIKey is OIOUTPVWKARXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c11-9(12)4-6-1-2-7-8(3-6)13-5-14-10(7)15/h1-3,5,9H,4H2,(H,13,14,15).
What are the key properties of 7-(2,2-difluoroethyl)-3H-quinazolin-4-one?
7-(2,2-difluoroethyl)-3H-quinazolin-4-one has a molecular weight of 210.18 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-difluoroethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 155734124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).