3-methyl-6-[(10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-quinazoline-2,4-dione

C17H20N4O5S — CID 163319332

IUPAC3-methyl-6-[(10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-quinazoline-2,4-dione
SMILESCn1c(=O)[nH]c2ccc(S(=O)(=O)N3CCCC34CCCNC4=O)cc2c1=O
InChIInChI=1S/C17H20N4O5S/c1-20-14(22)12-10-11(4-5-13(12)19-16(20)24)27(25,26)21-9-3-7-17(21)6-2-8-18-15(17)23/h4-5,10H,2-3,6-9H2,1H3,(H,18,23)(H,19,24)
InChIKeyROAFTXRYGGMBNY-UHFFFAOYSA-N
MW392.44 g/mol
LogP-0.34
Rot. Bonds2

About 3-methyl-6-[(10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-quinazoline-2,4-dione

3-methyl-6-[(10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-quinazoline-2,4-dione (PubChem CID 163319332) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is 3-methyl-6-[(10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-[(10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-quinazoline-2,4-dione
PubChem CID163319332
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC Name3-methyl-6-[(10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-quinazoline-2,4-dione
SMILESCn1c(=O)[nH]c2ccc(S(=O)(=O)N3CCCC34CCCNC4=O)cc2c1=O
InChIInChI=1S/C17H20N4O5S/c1-20-14(22)12-10-11(4-5-13(12)19-16(20)24)27(25,26)21-9-3-7-17(21)6-2-8-18-15(17)23/h4-5,10H,2-3,6-9H2,1H3,(H,18,23)(H,19,24)
InChIKeyROAFTXRYGGMBNY-UHFFFAOYSA-N
XLogP-0.34
TPSA121.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-methyl-6-[(10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-quinazoline-2,4-dione (CID 163319332) is 3-methyl-6-[(10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-methyl-6-[(10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-methyl-6-[(10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-quinazoline-2,4-dione is Cn1c(=O)[nH]c2ccc(S(=O)(=O)N3CCCC34CCCNC4=O)cc2c1=O.
What is the InChIKey of 3-methyl-6-[(10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-quinazoline-2,4-dione?
The InChIKey is ROAFTXRYGGMBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S/c1-20-14(22)12-10-11(4-5-13(12)19-16(20)24)27(25,26)21-9-3-7-17(21)6-2-8-18-15(17)23/h4-5,10H,2-3,6-9H2,1H3,(H,18,23)(H,19,24).
What are the key properties of 3-methyl-6-[(10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-quinazoline-2,4-dione?
3-methyl-6-[(10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-quinazoline-2,4-dione has a molecular weight of 392.44 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 163319332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).