2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one

C16H12ClFN2O2 — CID 168552141

IUPAC2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
SMILESCCOc1c(F)cc(-c2nc3ccccc3c(=O)[nH]2)cc1Cl
InChIInChI=1S/C16H12ClFN2O2/c1-2-22-14-11(17)7-9(8-12(14)18)15-19-13-6-4-3-5-10(13)16(21)20-15/h3-8H,2H2,1H3,(H,19,20,21)
InChIKeyNNKZTVQDFAZGQG-UHFFFAOYSA-N
MW318.74 g/mol
LogP3.78
Rot. Bonds3

About 2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one

2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one (PubChem CID 168552141) has the molecular formula C16H12ClFN2O2 and a molecular weight of 318.74 g/mol. Its IUPAC name is 2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
PubChem CID168552141
Molecular FormulaC16H12ClFN2O2
Molecular Weight318.74 g/mol
Exact Mass318.06
IUPAC Name2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
SMILESCCOc1c(F)cc(-c2nc3ccccc3c(=O)[nH]2)cc1Cl
InChIInChI=1S/C16H12ClFN2O2/c1-2-22-14-11(17)7-9(8-12(14)18)15-19-13-6-4-3-5-10(13)16(21)20-15/h3-8H,2H2,1H3,(H,19,20,21)
InChIKeyNNKZTVQDFAZGQG-UHFFFAOYSA-N
XLogP3.78
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one
CID 168551010
2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one
CID 168553260
2-(3-chloro-4-propoxyphenyl)-3H-quinazolin-4-one
CID 168551941
2-(4-ethoxy-3-iodo-5-methoxyphenyl)-3H-quinazolin-4-one
CID 168552547
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718
2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one
CID 168551046
2-(3-fluoro-4-methoxy-5-nitrophenyl)-3H-quinazolin-4-one
CID 168552902
2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one
CID 137085073
2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168551059
2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one
CID 135452683
2-(3-butoxy-4-fluorophenyl)-3H-quinazolin-4-one
CID 168551083
2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552724

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one (CID 168552141) is 2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one is CCOc1c(F)cc(-c2nc3ccccc3c(=O)[nH]2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one?
The InChIKey is NNKZTVQDFAZGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O2/c1-2-22-14-11(17)7-9(8-12(14)18)15-19-13-6-4-3-5-10(13)16(21)20-15/h3-8H,2H2,1H3,(H,19,20,21).
What are the key properties of 2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one?
2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one has a molecular weight of 318.74 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168552141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).