4-methyl-6-[(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)sulfonyl]-1H-quinolin-2-one

C19H25N3O4S — CID 138385656

IUPAC4-methyl-6-[(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)sulfonyl]-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOC4(CCN(C)CC4)C3)cc12
InChIInChI=1S/C19H25N3O4S/c1-14-11-18(23)20-17-4-3-15(12-16(14)17)27(24,25)22-9-10-26-19(13-22)5-7-21(2)8-6-19/h3-4,11-12H,5-10,13H2,1-2H3,(H,20,23)
InChIKeyVLBODZOTTTTZTN-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.32
Rot. Bonds2

About 4-methyl-6-[(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)sulfonyl]-1H-quinolin-2-one

4-methyl-6-[(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)sulfonyl]-1H-quinolin-2-one (PubChem CID 138385656) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 4-methyl-6-[(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)sulfonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-methyl-6-[(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)sulfonyl]-1H-quinolin-2-one
PubChem CID138385656
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name4-methyl-6-[(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)sulfonyl]-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOC4(CCN(C)CC4)C3)cc12
InChIInChI=1S/C19H25N3O4S/c1-14-11-18(23)20-17-4-3-15(12-16(14)17)27(24,25)22-9-10-26-19(13-22)5-7-21(2)8-6-19/h3-4,11-12H,5-10,13H2,1-2H3,(H,20,23)
InChIKeyVLBODZOTTTTZTN-UHFFFAOYSA-N
XLogP1.32
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)sulfonyl]-1H-quinolin-2-one?
The IUPAC name of 4-methyl-6-[(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)sulfonyl]-1H-quinolin-2-one (CID 138385656) is 4-methyl-6-[(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)sulfonyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-methyl-6-[(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)sulfonyl]-1H-quinolin-2-one?
The canonical SMILES for 4-methyl-6-[(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)sulfonyl]-1H-quinolin-2-one is Cc1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOC4(CCN(C)CC4)C3)cc12.
What is the InChIKey of 4-methyl-6-[(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)sulfonyl]-1H-quinolin-2-one?
The InChIKey is VLBODZOTTTTZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-14-11-18(23)20-17-4-3-15(12-16(14)17)27(24,25)22-9-10-26-19(13-22)5-7-21(2)8-6-19/h3-4,11-12H,5-10,13H2,1-2H3,(H,20,23).
What are the key properties of 4-methyl-6-[(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)sulfonyl]-1H-quinolin-2-one?
4-methyl-6-[(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)sulfonyl]-1H-quinolin-2-one has a molecular weight of 391.49 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)sulfonyl]-1H-quinolin-2-one is sourced from PubChem (CID 138385656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).