2-(3-chloro-2-fluorophenyl)-3H-quinazolin-4-one

C14H8ClFN2O — CID 168511648

IUPAC2-(3-chloro-2-fluorophenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cccc(Cl)c2F)nc2ccccc12
InChIInChI=1S/C14H8ClFN2O/c15-10-6-3-5-9(12(10)16)13-17-11-7-2-1-4-8(11)14(19)18-13/h1-7H,(H,17,18,19)
InChIKeyBJJQPDSBQWBGAJ-UHFFFAOYSA-N
MW274.68 g/mol
LogP3.38
Rot. Bonds1

About 2-(3-chloro-2-fluorophenyl)-3H-quinazolin-4-one

2-(3-chloro-2-fluorophenyl)-3H-quinazolin-4-one (PubChem CID 168511648) has the molecular formula C14H8ClFN2O and a molecular weight of 274.68 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-3H-quinazolin-4-one
PubChem CID168511648
Molecular FormulaC14H8ClFN2O
Molecular Weight274.68 g/mol
Exact Mass274.03
IUPAC Name2-(3-chloro-2-fluorophenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cccc(Cl)c2F)nc2ccccc12
InChIInChI=1S/C14H8ClFN2O/c15-10-6-3-5-9(12(10)16)13-17-11-7-2-1-4-8(11)14(19)18-13/h1-7H,(H,17,18,19)
InChIKeyBJJQPDSBQWBGAJ-UHFFFAOYSA-N
XLogP3.38
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.68
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-[3-(difluoromethoxy)-2-fluorophenyl]-3H-quinazolin-4-one
CID 168552872
2-(3-chloro-2-fluorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136987470
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-[2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 135597700
2-(2-chloro-4-phenylphenyl)-3H-quinazolin-4-one
CID 168551801
2-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]-3H-quinazolin-4-one
CID 168553277
2-(1H-indol-4-yl)-3H-quinazolin-4-one
CID 168550804
2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one
CID 168550701
5-bromo-4-tert-butyl-2-(3-chloro-2-fluorophenyl)-1H-pyrimidin-6-one
CID 136987474
5-bromo-2-(3-chloro-2-fluorophenyl)-4-ethyl-1H-pyrimidin-6-one
CID 136987476
2-[5-chloro-2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 168550858

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-3H-quinazolin-4-one (CID 168511648) is 2-(3-chloro-2-fluorophenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-3H-quinazolin-4-one is O=c1[nH]c(-c2cccc(Cl)c2F)nc2ccccc12.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-3H-quinazolin-4-one?
The InChIKey is BJJQPDSBQWBGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O/c15-10-6-3-5-9(12(10)16)13-17-11-7-2-1-4-8(11)14(19)18-13/h1-7H,(H,17,18,19).
What are the key properties of 2-(3-chloro-2-fluorophenyl)-3H-quinazolin-4-one?
2-(3-chloro-2-fluorophenyl)-3H-quinazolin-4-one has a molecular weight of 274.68 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168511648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).