[2-chloro-3-(5-chloro-3-methyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl] carbamate

C16H10Cl2FN3O4 — CID 175428757

IUPAC[2-chloro-3-(5-chloro-3-methyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl] carbamate
SMILESCn1cnc2ccc(Oc3c(F)ccc(OC(N)=O)c3Cl)c(Cl)c2c1=O
InChIInChI=1S/C16H10Cl2FN3O4/c1-22-6-21-8-3-5-9(12(17)11(8)15(22)23)25-14-7(19)2-4-10(13(14)18)26-16(20)24/h2-6H,1H3,(H2,20,24)
InChIKeyOHHSJMKMGIHOPQ-UHFFFAOYSA-N
MW398.18 g/mol
LogP3.63
Rot. Bonds3

About [2-chloro-3-(5-chloro-3-methyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl] carbamate

[2-chloro-3-(5-chloro-3-methyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl] carbamate (PubChem CID 175428757) has the molecular formula C16H10Cl2FN3O4 and a molecular weight of 398.18 g/mol. Its IUPAC name is [2-chloro-3-(5-chloro-3-methyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl] carbamate.

Molecular Properties

Compound Name[2-chloro-3-(5-chloro-3-methyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl] carbamate
PubChem CID175428757
Molecular FormulaC16H10Cl2FN3O4
Molecular Weight398.18 g/mol
Exact Mass397.00
IUPAC Name[2-chloro-3-(5-chloro-3-methyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl] carbamate
SMILESCn1cnc2ccc(Oc3c(F)ccc(OC(N)=O)c3Cl)c(Cl)c2c1=O
InChIInChI=1S/C16H10Cl2FN3O4/c1-22-6-21-8-3-5-9(12(17)11(8)15(22)23)25-14-7(19)2-4-10(13(14)18)26-16(20)24/h2-6H,1H3,(H2,20,24)
InChIKeyOHHSJMKMGIHOPQ-UHFFFAOYSA-N
XLogP3.63
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.18
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(5-chloro-3-methyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl] carbamate?
The IUPAC name of [2-chloro-3-(5-chloro-3-methyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl] carbamate (CID 175428757) is [2-chloro-3-(5-chloro-3-methyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl] carbamate.
What is the SMILES notation for [2-chloro-3-(5-chloro-3-methyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl] carbamate?
The canonical SMILES for [2-chloro-3-(5-chloro-3-methyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl] carbamate is Cn1cnc2ccc(Oc3c(F)ccc(OC(N)=O)c3Cl)c(Cl)c2c1=O.
What is the InChIKey of [2-chloro-3-(5-chloro-3-methyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl] carbamate?
The InChIKey is OHHSJMKMGIHOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FN3O4/c1-22-6-21-8-3-5-9(12(17)11(8)15(22)23)25-14-7(19)2-4-10(13(14)18)26-16(20)24/h2-6H,1H3,(H2,20,24).
What are the key properties of [2-chloro-3-(5-chloro-3-methyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl] carbamate?
[2-chloro-3-(5-chloro-3-methyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl] carbamate has a molecular weight of 398.18 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-(5-chloro-3-methyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl] carbamate is sourced from PubChem (CID 175428757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).