[3-(3,5-difluorophenyl)-5-fluoro-4-oxoquinazolin-2-yl]methyl N-tert-butylcarbamate

C20H18F3N3O3 — CID 140810079

IUPAC[3-(3,5-difluorophenyl)-5-fluoro-4-oxoquinazolin-2-yl]methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCc1nc2cccc(F)c2c(=O)n1-c1cc(F)cc(F)c1
InChIInChI=1S/C20H18F3N3O3/c1-20(2,3)25-19(28)29-10-16-24-15-6-4-5-14(23)17(15)18(27)26(16)13-8-11(21)7-12(22)9-13/h4-9H,10H2,1-3H3,(H,25,28)
InChIKeyLTUFDMNSMHUBGI-UHFFFAOYSA-N
MW405.38 g/mol
LogP3.83
Rot. Bonds3

About [3-(3,5-difluorophenyl)-5-fluoro-4-oxoquinazolin-2-yl]methyl N-tert-butylcarbamate

[3-(3,5-difluorophenyl)-5-fluoro-4-oxoquinazolin-2-yl]methyl N-tert-butylcarbamate (PubChem CID 140810079) has the molecular formula C20H18F3N3O3 and a molecular weight of 405.38 g/mol. Its IUPAC name is [3-(3,5-difluorophenyl)-5-fluoro-4-oxoquinazolin-2-yl]methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name[3-(3,5-difluorophenyl)-5-fluoro-4-oxoquinazolin-2-yl]methyl N-tert-butylcarbamate
PubChem CID140810079
Molecular FormulaC20H18F3N3O3
Molecular Weight405.38 g/mol
Exact Mass405.13
IUPAC Name[3-(3,5-difluorophenyl)-5-fluoro-4-oxoquinazolin-2-yl]methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCc1nc2cccc(F)c2c(=O)n1-c1cc(F)cc(F)c1
InChIInChI=1S/C20H18F3N3O3/c1-20(2,3)25-19(28)29-10-16-24-15-6-4-5-14(23)17(15)18(27)26(16)13-8-11(21)7-12(22)9-13/h4-9H,10H2,1-3H3,(H,25,28)
InChIKeyLTUFDMNSMHUBGI-UHFFFAOYSA-N
XLogP3.83
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(3,5-difluorophenyl)-5-fluoro-4-oxoquinazolin-2-yl]methyl N-tert-butylcarbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[2-[3-(3-cyano-5-fluorophenyl)-5-fluoro-4-oxoquinazolin-2-yl]ethyl]carbamate
CID 90236975
tert-butyl N-[4-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)butyl]carbamate
CID 137476613
2-[3-[(2,6-diamino-5-chloropyrimidin-4-yl)amino]propyl]-3-(3,5-difluorophenyl)-5-fluoroquinazolin-4-one
CID 90237391
tert-butyl N-[2-[5-cyano-3-(3-cyano-5-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]carbamate
CID 90236896
3-(3,5-difluorophenyl)-2-ethyl-5,6-difluoroquinazolin-4-one
CID 135244703
[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]methyl N-tert-butylcarbamate
CID 24989164
tert-butyl N-[2-[3-(3,5-difluorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]ethyl]carbamate
CID 90238280
tert-butyl N-[2-[8-chloro-3-(3,5-difluorophenyl)-5-fluoro-4-oxoquinazolin-2-yl]ethyl]carbamate
CID 90237181
2-[2-[[6-amino-5-[2-(5-fluoro-2-pyridinyl)ethynyl]pyrimidin-4-yl]amino]ethyl]-3-(3,5-difluorophenyl)-5-fluoroquinazolin-4-one
CID 90236397
tert-butyl N-[1-[5-chloro-3-(3-chloro-5-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]carbamate
CID 90236279
tert-butyl N-[(1S)-1-[3-(3,5-difluorophenyl)-8-fluoro-4-oxoquinazolin-2-yl]ethyl]carbamate
CID 90235481
2-(1-aminopropyl)-3-[3-(difluoromethyl)-5-fluorophenyl]-5-fluoroquinazolin-4-one
CID 90235239

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-difluorophenyl)-5-fluoro-4-oxoquinazolin-2-yl]methyl N-tert-butylcarbamate?
The IUPAC name of [3-(3,5-difluorophenyl)-5-fluoro-4-oxoquinazolin-2-yl]methyl N-tert-butylcarbamate (CID 140810079) is [3-(3,5-difluorophenyl)-5-fluoro-4-oxoquinazolin-2-yl]methyl N-tert-butylcarbamate.
What is the SMILES notation for [3-(3,5-difluorophenyl)-5-fluoro-4-oxoquinazolin-2-yl]methyl N-tert-butylcarbamate?
The canonical SMILES for [3-(3,5-difluorophenyl)-5-fluoro-4-oxoquinazolin-2-yl]methyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCc1nc2cccc(F)c2c(=O)n1-c1cc(F)cc(F)c1.
What is the InChIKey of [3-(3,5-difluorophenyl)-5-fluoro-4-oxoquinazolin-2-yl]methyl N-tert-butylcarbamate?
The InChIKey is LTUFDMNSMHUBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3/c1-20(2,3)25-19(28)29-10-16-24-15-6-4-5-14(23)17(15)18(27)26(16)13-8-11(21)7-12(22)9-13/h4-9H,10H2,1-3H3,(H,25,28).
What are the key properties of [3-(3,5-difluorophenyl)-5-fluoro-4-oxoquinazolin-2-yl]methyl N-tert-butylcarbamate?
[3-(3,5-difluorophenyl)-5-fluoro-4-oxoquinazolin-2-yl]methyl N-tert-butylcarbamate has a molecular weight of 405.38 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-difluorophenyl)-5-fluoro-4-oxoquinazolin-2-yl]methyl N-tert-butylcarbamate is sourced from PubChem (CID 140810079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).