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

C20H18ClF2N3O4 — CID 175428764

IUPAC[2-chloro-4-fluoro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] N-tert-butylcarbamate
SMILESCn1cnc2ccc(Oc3c(F)ccc(OC(=O)NC(C)(C)C)c3Cl)c(F)c2c1=O
InChIInChI=1S/C20H18ClF2N3O4/c1-20(2,3)25-19(28)30-12-7-5-10(22)17(15(12)21)29-13-8-6-11-14(16(13)23)18(27)26(4)9-24-11/h5-9H,1-4H3,(H,25,28)
InChIKeyZUPBAUGMGOCPNL-UHFFFAOYSA-N
MW437.83 g/mol
LogP4.54
Rot. Bonds3

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

[2-chloro-4-fluoro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] N-tert-butylcarbamate (PubChem CID 175428764) has the molecular formula C20H18ClF2N3O4 and a molecular weight of 437.83 g/mol. Its IUPAC name is [2-chloro-4-fluoro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[2-chloro-4-fluoro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] N-tert-butylcarbamate
PubChem CID175428764
Molecular FormulaC20H18ClF2N3O4
Molecular Weight437.83 g/mol
Exact Mass437.10
IUPAC Name[2-chloro-4-fluoro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] N-tert-butylcarbamate
SMILESCn1cnc2ccc(Oc3c(F)ccc(OC(=O)NC(C)(C)C)c3Cl)c(F)c2c1=O
InChIInChI=1S/C20H18ClF2N3O4/c1-20(2,3)25-19(28)30-12-7-5-10(22)17(15(12)21)29-13-8-6-11-14(16(13)23)18(27)26(4)9-24-11/h5-9H,1-4H3,(H,25,28)
InChIKeyZUPBAUGMGOCPNL-UHFFFAOYSA-N
XLogP4.54
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.83
LogP ≤ 54.54
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
tert-butyl N-[2-chloro-3-(5-chloro-3-methyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]carbamate
CID 165149920
[2-chloro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] carbamate
CID 175428835
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
tert-butyl-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]carbamic acid;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoroazetidine-1-sulfonamide
CID 175880852
[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl] N-(3-fluoropropylsulfonyl)carbamate
CID 155434902
6-(3-amino-2-chloro-5,6-difluoroanilino)-5-fluoro-3-methylquinazolin-4-one
CID 165149922
(3-bromo-2,6-difluorophenyl) N-tert-butylcarbamate
CID 174652511
N-[3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2,4,5-trifluorophenyl]propane-1-sulfonamide
CID 155434769
N-[2-chloro-4-fluoro-3-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]piperidine-1-sulfonamide
CID 166885112

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-fluoro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] N-tert-butylcarbamate?
The IUPAC name of [2-chloro-4-fluoro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] N-tert-butylcarbamate (CID 175428764) is [2-chloro-4-fluoro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] N-tert-butylcarbamate.
What is the SMILES notation for [2-chloro-4-fluoro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] N-tert-butylcarbamate?
The canonical SMILES for [2-chloro-4-fluoro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] N-tert-butylcarbamate is Cn1cnc2ccc(Oc3c(F)ccc(OC(=O)NC(C)(C)C)c3Cl)c(F)c2c1=O.
What is the InChIKey of [2-chloro-4-fluoro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] N-tert-butylcarbamate?
The InChIKey is ZUPBAUGMGOCPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N3O4/c1-20(2,3)25-19(28)30-12-7-5-10(22)17(15(12)21)29-13-8-6-11-14(16(13)23)18(27)26(4)9-24-11/h5-9H,1-4H3,(H,25,28).
What are the key properties of [2-chloro-4-fluoro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] N-tert-butylcarbamate?
[2-chloro-4-fluoro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] N-tert-butylcarbamate has a molecular weight of 437.83 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-fluoro-3-(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)oxyphenyl] N-tert-butylcarbamate is sourced from PubChem (CID 175428764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).