2-(4-fluoro-2-phenoxyphenyl)-3H-quinazolin-4-one

C20H13FN2O2 — CID 168553410

IUPAC2-(4-fluoro-2-phenoxyphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(F)cc2Oc2ccccc2)nc2ccccc12
InChIInChI=1S/C20H13FN2O2/c21-13-10-11-16(18(12-13)25-14-6-2-1-3-7-14)19-22-17-9-5-4-8-15(17)20(24)23-19/h1-12H,(H,22,23,24)
InChIKeySCQXDOGTMKGDAO-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.52
Rot. Bonds3

About 2-(4-fluoro-2-phenoxyphenyl)-3H-quinazolin-4-one

2-(4-fluoro-2-phenoxyphenyl)-3H-quinazolin-4-one (PubChem CID 168553410) has the molecular formula C20H13FN2O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 2-(4-fluoro-2-phenoxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-fluoro-2-phenoxyphenyl)-3H-quinazolin-4-one
PubChem CID168553410
Molecular FormulaC20H13FN2O2
Molecular Weight332.33 g/mol
Exact Mass332.10
IUPAC Name2-(4-fluoro-2-phenoxyphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(F)cc2Oc2ccccc2)nc2ccccc12
InChIInChI=1S/C20H13FN2O2/c21-13-10-11-16(18(12-13)25-14-6-2-1-3-7-14)19-22-17-9-5-4-8-15(17)20(24)23-19/h1-12H,(H,22,23,24)
InChIKeySCQXDOGTMKGDAO-UHFFFAOYSA-N
XLogP4.52
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552407
2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one
CID 168550701
2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168551059
6-fluoro-2-phenyl-3H-quinazolin-4-one
CID 135741351
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one
CID 168552669
2-[3-(difluoromethoxy)-2-fluorophenyl]-3H-quinazolin-4-one
CID 168552872
2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551308
2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551873
2-[2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 135597700
2-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]-3H-quinazolin-4-one
CID 168551316
2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one
CID 168550809

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-phenoxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-fluoro-2-phenoxyphenyl)-3H-quinazolin-4-one (CID 168553410) is 2-(4-fluoro-2-phenoxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-fluoro-2-phenoxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-fluoro-2-phenoxyphenyl)-3H-quinazolin-4-one is O=c1[nH]c(-c2ccc(F)cc2Oc2ccccc2)nc2ccccc12.
What is the InChIKey of 2-(4-fluoro-2-phenoxyphenyl)-3H-quinazolin-4-one?
The InChIKey is SCQXDOGTMKGDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O2/c21-13-10-11-16(18(12-13)25-14-6-2-1-3-7-14)19-22-17-9-5-4-8-15(17)20(24)23-19/h1-12H,(H,22,23,24).
What are the key properties of 2-(4-fluoro-2-phenoxyphenyl)-3H-quinazolin-4-one?
2-(4-fluoro-2-phenoxyphenyl)-3H-quinazolin-4-one has a molecular weight of 332.33 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-phenoxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168553410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).