3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one

C16H12Cl2N2O2 — CID 973494

IUPAC3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H12Cl2N2O2/c17-11-5-6-13(18)15(9-11)22-8-7-20-10-19-14-4-2-1-3-12(14)16(20)21/h1-6,9-10H,7-8H2
InChIKeyFNEVDISPVYRYNI-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.78
Rot. Bonds4

About 3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one

3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one (PubChem CID 973494) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one
PubChem CID973494
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H12Cl2N2O2/c17-11-5-6-13(18)15(9-11)22-8-7-20-10-19-14-4-2-1-3-12(14)16(20)21/h1-6,9-10H,7-8H2
InChIKeyFNEVDISPVYRYNI-UHFFFAOYSA-N
XLogP3.78
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one
CID 8536647
3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one
CID 973535
3-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]quinazolin-4-one
CID 1328560
3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 17436537
3-[2-(2,6-dibromo-4-methylphenoxy)ethyl]quinazolin-4-one
CID 16614122
2-(2-chlorophenoxy)ethyl 3-(4-oxoquinazolin-3-yl)propanoate
CID 46661027
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
N-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 46666719
3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one
CID 39805269
6-chloro-3-[2-(4-ethoxyphenoxy)ethyl]quinazolin-4-one
CID 7587299
3-(4-oxoquinazolin-3-yl)propyl 4-chlorobenzoate
CID 30338391
3-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]quinazolin-4-one
CID 762605

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one (CID 973494) is 3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one is O=c1c2ccccc2ncn1CCOc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one?
The InChIKey is FNEVDISPVYRYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c17-11-5-6-13(18)15(9-11)22-8-7-20-10-19-14-4-2-1-3-12(14)16(20)21/h1-6,9-10H,7-8H2.
What are the key properties of 3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one?
3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one has a molecular weight of 335.19 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one is sourced from PubChem (CID 973494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).