2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one

C16H12F2N2O2 — CID 168552669

IUPAC2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2OCC(F)F)nc2ccccc12
InChIInChI=1S/C16H12F2N2O2/c17-14(18)9-22-13-8-4-2-6-11(13)15-19-12-7-3-1-5-10(12)16(21)20-15/h1-8,14H,9H2,(H,19,20,21)
InChIKeyIHZMUENKDYZNML-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.23
Rot. Bonds4

About 2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one

2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one (PubChem CID 168552669) has the molecular formula C16H12F2N2O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one
PubChem CID168552669
Molecular FormulaC16H12F2N2O2
Molecular Weight302.28 g/mol
Exact Mass302.09
IUPAC Name2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2OCC(F)F)nc2ccccc12
InChIInChI=1S/C16H12F2N2O2/c17-14(18)9-22-13-8-4-2-6-11(13)15-19-12-7-3-1-5-10(12)16(21)20-15/h1-8,14H,9H2,(H,19,20,21)
InChIKeyIHZMUENKDYZNML-UHFFFAOYSA-N
XLogP3.23
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551636
2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one
CID 168552014
2-[3-(difluoromethoxy)-2-fluorophenyl]-3H-quinazolin-4-one
CID 168552872
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168551059
2-[2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 135597700
2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551873
5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylic acid
CID 168552349
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(4-fluoro-2-phenoxyphenyl)-3H-quinazolin-4-one
CID 168553410
2-[2-(oxan-4-yloxy)phenyl]-3H-quinazolin-4-one
CID 168553090
N-(4-methylphenyl)-2-[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 168552578

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one (CID 168552669) is 2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one is O=c1[nH]c(-c2ccccc2OCC(F)F)nc2ccccc12.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one?
The InChIKey is IHZMUENKDYZNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2/c17-14(18)9-22-13-8-4-2-6-11(13)15-19-12-7-3-1-5-10(12)16(21)20-15/h1-8,14H,9H2,(H,19,20,21).
What are the key properties of 2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one?
2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one has a molecular weight of 302.28 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168552669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).