[2-chloro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] carbamate

C16H11ClFN3O4 — CID 175428835

IUPAC[2-chloro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] carbamate
SMILESCn1cnc2ccc(Oc3cccc(OC(N)=O)c3Cl)c(F)c2c1=O
InChIInChI=1S/C16H11ClFN3O4/c1-21-7-20-8-5-6-11(14(18)12(8)15(21)22)24-9-3-2-4-10(13(9)17)25-16(19)23/h2-7H,1H3,(H2,19,23)
InChIKeyGGDADQWDMAPGRG-UHFFFAOYSA-N
MW363.73 g/mol
LogP2.98
Rot. Bonds3

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

[2-chloro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] carbamate (PubChem CID 175428835) has the molecular formula C16H11ClFN3O4 and a molecular weight of 363.73 g/mol. Its IUPAC name is [2-chloro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] carbamate.

Molecular Properties

Compound Name[2-chloro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] carbamate
PubChem CID175428835
Molecular FormulaC16H11ClFN3O4
Molecular Weight363.73 g/mol
Exact Mass363.04
IUPAC Name[2-chloro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] carbamate
SMILESCn1cnc2ccc(Oc3cccc(OC(N)=O)c3Cl)c(F)c2c1=O
InChIInChI=1S/C16H11ClFN3O4/c1-21-7-20-8-5-6-11(14(18)12(8)15(21)22)24-9-3-2-4-10(13(9)17)25-16(19)23/h2-7H,1H3,(H2,19,23)
InChIKeyGGDADQWDMAPGRG-UHFFFAOYSA-N
XLogP2.98
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.73
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-chloro-3-(5-chloro-3-methyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl] carbamate
CID 175428757
6-(3-amino-2-chloro-6-fluorophenoxy)-5-fluoro-3-methylquinazolin-4-one;tert-butyl carbamate
CID 175428858
[2-chloro-4-fluoro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] N-tert-butylcarbamate
CID 175428764
tert-butyl N-[2-chloro-3-(5-chloro-3-methyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]carbamate
CID 165149920
N-[2-chloro-4-fluoro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl]-3-fluoroazetidine-1-sulfonamide
CID 165149868
N-[2-chloro-3-(5-chloro-3-methyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-2-azabicyclo[2.1.1]hexane-2-sulfonamide
CID 165149984
(2,3-difluorophenyl) carbamate
CID 154511519
6-chloro-5-fluoro-3-methylpyrimidin-4-one
CID 133060787
N-[2-chloro-4-fluoro-3-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]piperidine-1-sulfonamide
CID 166885112
N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4,5-trifluorophenyl]propane-1-sulfonamide
CID 155434769
(2-amino-4-chloro-3-fluorophenyl) carbamate
CID 150880588
6-chloro-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 165149924

Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] carbamate?
The IUPAC name of [2-chloro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] carbamate (CID 175428835) is [2-chloro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] carbamate.
What is the SMILES notation for [2-chloro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] carbamate?
The canonical SMILES for [2-chloro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] carbamate is Cn1cnc2ccc(Oc3cccc(OC(N)=O)c3Cl)c(F)c2c1=O.
What is the InChIKey of [2-chloro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] carbamate?
The InChIKey is GGDADQWDMAPGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O4/c1-21-7-20-8-5-6-11(14(18)12(8)15(21)22)24-9-3-2-4-10(13(9)17)25-16(19)23/h2-7H,1H3,(H2,19,23).
What are the key properties of [2-chloro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] carbamate?
[2-chloro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] carbamate has a molecular weight of 363.73 g/mol, XLogP of 2.98, 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-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] carbamate is sourced from PubChem (CID 175428835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).