6-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-1-amine

C20H26BrFN4OS — CID 169202586

IUPAC6-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-1-amine
SMILESCCSc1nc(NCC2(N(C)C)CCCC2)c2c3c(c(Br)c(F)c2n1)COC3
InChIInChI=1S/C20H26BrFN4OS/c1-4-28-19-24-17-14(12-9-27-10-13(12)15(21)16(17)22)18(25-19)23-11-20(26(2)3)7-5-6-8-20/h4-11H2,1-3H3,(H,23,24,25)
InChIKeyKWSWFNMBYRLYNQ-UHFFFAOYSA-N
MW469.42 g/mol
LogP4.96
Rot. Bonds6

About 6-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-1-amine

6-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-1-amine (PubChem CID 169202586) has the molecular formula C20H26BrFN4OS and a molecular weight of 469.42 g/mol. Its IUPAC name is 6-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-1-amine.

Molecular Properties

Compound Name6-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-1-amine
PubChem CID169202586
Molecular FormulaC20H26BrFN4OS
Molecular Weight469.42 g/mol
Exact Mass468.10
IUPAC Name6-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-1-amine
SMILESCCSc1nc(NCC2(N(C)C)CCCC2)c2c3c(c(Br)c(F)c2n1)COC3
InChIInChI=1S/C20H26BrFN4OS/c1-4-28-19-24-17-14(12-9-27-10-13(12)15(21)16(17)22)18(25-19)23-11-20(26(2)3)7-5-6-8-20/h4-11H2,1-3H3,(H,23,24,25)
InChIKeyKWSWFNMBYRLYNQ-UHFFFAOYSA-N
XLogP4.96
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.42
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-ethylsulfanyl-5-fluoro-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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-1-amine?
The IUPAC name of 6-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-1-amine (CID 169202586) is 6-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-1-amine.
What is the SMILES notation for 6-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-1-amine?
The canonical SMILES for 6-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-1-amine is CCSc1nc(NCC2(N(C)C)CCCC2)c2c3c(c(Br)c(F)c2n1)COC3.
What is the InChIKey of 6-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-1-amine?
The InChIKey is KWSWFNMBYRLYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrFN4OS/c1-4-28-19-24-17-14(12-9-27-10-13(12)15(21)16(17)22)18(25-19)23-11-20(26(2)3)7-5-6-8-20/h4-11H2,1-3H3,(H,23,24,25).
What are the key properties of 6-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-1-amine?
6-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-1-amine has a molecular weight of 469.42 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-1-amine is sourced from PubChem (CID 169202586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).