6-bromo-3-ethylsulfonyl-5-fluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-7,9-dihydrofuro[3,4-f]quinazolin-1-amine

C18H22BrFN4O3S — CID 169202342

IUPAC6-bromo-3-ethylsulfonyl-5-fluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-7,9-dihydrofuro[3,4-f]quinazolin-1-amine
SMILESCCS(=O)(=O)c1nc(NC[C@@H]2CCCN2C)c2c3c(c(Br)c(F)c2n1)COC3
InChIInChI=1S/C18H22BrFN4O3S/c1-3-28(25,26)18-22-16-13(11-8-27-9-12(11)14(19)15(16)20)17(23-18)21-7-10-5-4-6-24(10)2/h10H,3-9H2,1-2H3,(H,21,22,23)/t10-/m0/s1
InChIKeyURRJPZLYOODBAY-JTQLQIEISA-N
MW473.37 g/mol
LogP2.86
Rot. Bonds5

About 6-bromo-3-ethylsulfonyl-5-fluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-7,9-dihydrofuro[3,4-f]quinazolin-1-amine

6-bromo-3-ethylsulfonyl-5-fluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-7,9-dihydrofuro[3,4-f]quinazolin-1-amine (PubChem CID 169202342) has the molecular formula C18H22BrFN4O3S and a molecular weight of 473.37 g/mol. Its IUPAC name is 6-bromo-3-ethylsulfonyl-5-fluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-7,9-dihydrofuro[3,4-f]quinazolin-1-amine.

Molecular Properties

Compound Name6-bromo-3-ethylsulfonyl-5-fluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-7,9-dihydrofuro[3,4-f]quinazolin-1-amine
PubChem CID169202342
Molecular FormulaC18H22BrFN4O3S
Molecular Weight473.37 g/mol
Exact Mass472.06
IUPAC Name6-bromo-3-ethylsulfonyl-5-fluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-7,9-dihydrofuro[3,4-f]quinazolin-1-amine
SMILESCCS(=O)(=O)c1nc(NC[C@@H]2CCCN2C)c2c3c(c(Br)c(F)c2n1)COC3
InChIInChI=1S/C18H22BrFN4O3S/c1-3-28(25,26)18-22-16-13(11-8-27-9-12(11)14(19)15(16)20)17(23-18)21-7-10-5-4-6-24(10)2/h10H,3-9H2,1-2H3,(H,21,22,23)/t10-/m0/s1
InChIKeyURRJPZLYOODBAY-JTQLQIEISA-N
XLogP2.86
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-bromo-3-ethylsulfonyl-5-fluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-7,9-dihydrofuro[3,4-f]quinazolin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 8-(6-bromo-3-ethylsulfonyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-1-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 169201718
Tert-butyl 8-(6-bromo-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-1-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 169201798
6-bromo-3-ethylsulfanyl-5-fluoro-1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7,9-dihydrofuro[3,4-f]quinazoline
CID 169201825
6-Bromo-1-chloro-3-ethylsulfonyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazoline
CID 169201857
Tert-butyl 6-(6-bromo-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-1-yl)-3,6-diazabicyclo[3.1.1]heptane-3-carboxylate
CID 169201966
tert-butyl (1R,4R)-5-[6-bromo-9-(cyanomethyl)-3-ethylsulfonyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-1-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 169201999
tert-butyl (1R,4R)-5-[6-bromo-9-(cyanomethyl)-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-1-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 169202035
6-Bromo-3-ethylsulfonyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazoline
CID 169202043
Tert-butyl 6-(6-bromo-3-ethylsulfonyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-1-yl)-3,6-diazabicyclo[3.1.1]heptane-3-carboxylate
CID 169202185
tert-butyl (1R,4R)-5-(6-bromo-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-1-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 169202369
6-bromo-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-7,9-dihydrofuro[3,4-f]quinazolin-1-amine
CID 169202459
6-bromo-1-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazoline
CID 169202506

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethylsulfonyl-5-fluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-7,9-dihydrofuro[3,4-f]quinazolin-1-amine?
The IUPAC name of 6-bromo-3-ethylsulfonyl-5-fluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-7,9-dihydrofuro[3,4-f]quinazolin-1-amine (CID 169202342) is 6-bromo-3-ethylsulfonyl-5-fluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-7,9-dihydrofuro[3,4-f]quinazolin-1-amine.
What is the SMILES notation for 6-bromo-3-ethylsulfonyl-5-fluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-7,9-dihydrofuro[3,4-f]quinazolin-1-amine?
The canonical SMILES for 6-bromo-3-ethylsulfonyl-5-fluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-7,9-dihydrofuro[3,4-f]quinazolin-1-amine is CCS(=O)(=O)c1nc(NC[C@@H]2CCCN2C)c2c3c(c(Br)c(F)c2n1)COC3.
What is the InChIKey of 6-bromo-3-ethylsulfonyl-5-fluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-7,9-dihydrofuro[3,4-f]quinazolin-1-amine?
The InChIKey is URRJPZLYOODBAY-JTQLQIEISA-N. The full InChI is InChI=1S/C18H22BrFN4O3S/c1-3-28(25,26)18-22-16-13(11-8-27-9-12(11)14(19)15(16)20)17(23-18)21-7-10-5-4-6-24(10)2/h10H,3-9H2,1-2H3,(H,21,22,23)/t10-/m0/s1.
What are the key properties of 6-bromo-3-ethylsulfonyl-5-fluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-7,9-dihydrofuro[3,4-f]quinazolin-1-amine?
6-bromo-3-ethylsulfonyl-5-fluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-7,9-dihydrofuro[3,4-f]quinazolin-1-amine has a molecular weight of 473.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethylsulfonyl-5-fluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-7,9-dihydrofuro[3,4-f]quinazolin-1-amine is sourced from PubChem (CID 169202342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).