N-[(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]methanesulfinamide

C17H12FN3O3S — CID 169263892

IUPACN-[(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]methanesulfinamide
SMILESCS(=O)NCc1ccc2c(=O)n3c(nc2c1)C(=O)c1cc(F)ccc1-3
InChIInChI=1S/C17H12FN3O3S/c1-25(24)19-8-9-2-4-11-13(6-9)20-16-15(22)12-7-10(18)3-5-14(12)21(16)17(11)23/h2-7,19H,8H2,1H3
InChIKeyMANLPOUWACUWEW-UHFFFAOYSA-N
MW357.37 g/mol
LogP1.45
Rot. Bonds3

About N-[(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]methanesulfinamide

N-[(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]methanesulfinamide (PubChem CID 169263892) has the molecular formula C17H12FN3O3S and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]methanesulfinamide.

Molecular Properties

Compound NameN-[(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]methanesulfinamide
PubChem CID169263892
Molecular FormulaC17H12FN3O3S
Molecular Weight357.37 g/mol
Exact Mass357.06
IUPAC NameN-[(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]methanesulfinamide
SMILESCS(=O)NCc1ccc2c(=O)n3c(nc2c1)C(=O)c1cc(F)ccc1-3
InChIInChI=1S/C17H12FN3O3S/c1-25(24)19-8-9-2-4-11-13(6-9)20-16-15(22)12-7-10(18)3-5-14(12)21(16)17(11)23/h2-7,19H,8H2,1H3
InChIKeyMANLPOUWACUWEW-UHFFFAOYSA-N
XLogP1.45
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]methanesulfinamide?
The IUPAC name of N-[(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]methanesulfinamide (CID 169263892) is N-[(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]methanesulfinamide.
What is the SMILES notation for N-[(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]methanesulfinamide?
The canonical SMILES for N-[(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]methanesulfinamide is CS(=O)NCc1ccc2c(=O)n3c(nc2c1)C(=O)c1cc(F)ccc1-3.
What is the InChIKey of N-[(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]methanesulfinamide?
The InChIKey is MANLPOUWACUWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O3S/c1-25(24)19-8-9-2-4-11-13(6-9)20-16-15(22)12-7-10(18)3-5-14(12)21(16)17(11)23/h2-7,19H,8H2,1H3.
What are the key properties of N-[(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]methanesulfinamide?
N-[(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]methanesulfinamide has a molecular weight of 357.37 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]methanesulfinamide is sourced from PubChem (CID 169263892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).