7-chloro-2-(2,4-dichlorophenoxy)-3H-quinazolin-4-one

C14H7Cl3N2O2 — CID 137304089

IUPAC7-chloro-2-(2,4-dichlorophenoxy)-3H-quinazolin-4-one
SMILESO=c1[nH]c(Oc2ccc(Cl)cc2Cl)nc2cc(Cl)ccc12
InChIInChI=1S/C14H7Cl3N2O2/c15-7-2-4-12(10(17)5-7)21-14-18-11-6-8(16)1-3-9(11)13(20)19-14/h1-6H,(H,18,19,20)
InChIKeyLZZBVRUAJPHREY-UHFFFAOYSA-N
MW341.58 g/mol
LogP4.68
Rot. Bonds2

About 7-chloro-2-(2,4-dichlorophenoxy)-3H-quinazolin-4-one

7-chloro-2-(2,4-dichlorophenoxy)-3H-quinazolin-4-one (PubChem CID 137304089) has the molecular formula C14H7Cl3N2O2 and a molecular weight of 341.58 g/mol. Its IUPAC name is 7-chloro-2-(2,4-dichlorophenoxy)-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-(2,4-dichlorophenoxy)-3H-quinazolin-4-one
PubChem CID137304089
Molecular FormulaC14H7Cl3N2O2
Molecular Weight341.58 g/mol
Exact Mass339.96
IUPAC Name7-chloro-2-(2,4-dichlorophenoxy)-3H-quinazolin-4-one
SMILESO=c1[nH]c(Oc2ccc(Cl)cc2Cl)nc2cc(Cl)ccc12
InChIInChI=1S/C14H7Cl3N2O2/c15-7-2-4-12(10(17)5-7)21-14-18-11-6-8(16)1-3-9(11)13(20)19-14/h1-6H,(H,18,19,20)
InChIKeyLZZBVRUAJPHREY-UHFFFAOYSA-N
XLogP4.68
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.58
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2-(dimethylamino)-3H-quinazolin-4-one
CID 137287755
6-chloro-2-ethoxy-3H-quinazolin-4-one
CID 175805927
2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one
CID 136917917
7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135724878
7-chloro-2-[(3,4-difluorophenyl)sulfanylmethyl]-3H-quinazolin-4-one
CID 135722556
7-chloro-2-[(Z)-1-chloro-2-(3,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one
CID 135847774
methyl 2-[(2,5-dichlorophenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135836476
2-(2-bromo-4-chlorophenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylacetamide
CID 135875145
2,6-dichloro-3H-quinazolin-4-one
CID 135742281
7-chloro-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135951727
7-chloro-2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-3H-quinazolin-4-one
CID 135809695
2-(2-amino-4-oxothiophen-3-yl)-7-chloro-3H-quinazolin-4-one
CID 135569999

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2,4-dichlorophenoxy)-3H-quinazolin-4-one?
The IUPAC name of 7-chloro-2-(2,4-dichlorophenoxy)-3H-quinazolin-4-one (CID 137304089) is 7-chloro-2-(2,4-dichlorophenoxy)-3H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-(2,4-dichlorophenoxy)-3H-quinazolin-4-one?
The canonical SMILES for 7-chloro-2-(2,4-dichlorophenoxy)-3H-quinazolin-4-one is O=c1[nH]c(Oc2ccc(Cl)cc2Cl)nc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-2-(2,4-dichlorophenoxy)-3H-quinazolin-4-one?
The InChIKey is LZZBVRUAJPHREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3N2O2/c15-7-2-4-12(10(17)5-7)21-14-18-11-6-8(16)1-3-9(11)13(20)19-14/h1-6H,(H,18,19,20).
What are the key properties of 7-chloro-2-(2,4-dichlorophenoxy)-3H-quinazolin-4-one?
7-chloro-2-(2,4-dichlorophenoxy)-3H-quinazolin-4-one has a molecular weight of 341.58 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2,4-dichlorophenoxy)-3H-quinazolin-4-one is sourced from PubChem (CID 137304089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).