6-[4-[(7-ethenylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one

C30H32N4O4S — CID 178031751

IUPAC6-[4-[(7-ethenylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
SMILESC=CS(=O)(=O)N1CCC2(CC1)CN(Cc1ccc(-c3nc4c(cc3-c3ccccc3)N(C)C(=O)CO4)cc1)C2
InChIInChI=1S/C30H32N4O4S/c1-3-39(36,37)34-15-13-30(14-16-34)20-33(21-30)18-22-9-11-24(12-10-22)28-25(23-7-5-4-6-8-23)17-26-29(31-28)38-19-27(35)32(26)2/h3-12,17H,1,13-16,18-21H2,2H3
InChIKeyFMGDNZXMMUAYKC-UHFFFAOYSA-N
MW544.68 g/mol
LogP4.14
Rot. Bonds6

About 6-[4-[(7-ethenylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one

6-[4-[(7-ethenylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one (PubChem CID 178031751) has the molecular formula C30H32N4O4S and a molecular weight of 544.68 g/mol. Its IUPAC name is 6-[4-[(7-ethenylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name6-[4-[(7-ethenylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
PubChem CID178031751
Molecular FormulaC30H32N4O4S
Molecular Weight544.68 g/mol
Exact Mass544.21
IUPAC Name6-[4-[(7-ethenylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
SMILESC=CS(=O)(=O)N1CCC2(CC1)CN(Cc1ccc(-c3nc4c(cc3-c3ccccc3)N(C)C(=O)CO4)cc1)C2
InChIInChI=1S/C30H32N4O4S/c1-3-39(36,37)34-15-13-30(14-16-34)20-33(21-30)18-22-9-11-24(12-10-22)28-25(23-7-5-4-6-8-23)17-26-29(31-28)38-19-27(35)32(26)2/h3-12,17H,1,13-16,18-21H2,2H3
InChIKeyFMGDNZXMMUAYKC-UHFFFAOYSA-N
XLogP4.14
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.68
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-[(7-ethenylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one with MolForge

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Related Compounds

1-methyl-6,7-diphenylpyrido[2,3-b][1,4]oxazin-2-one
CID 141304927
6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
CID 67257000
6-[4-(1-aminocyclobutyl)phenyl]-1-(2-methoxyethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
CID 67254897
5-methyl-2-[4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]phenyl]-3-phenyl-1,6-naphthyridine-7-carboxamide;prop-2-enal
CID 177349379
6-[4-(1-aminocyclobutyl)phenyl]-1-(2-oxopropyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
CID 53261991
6-[4-(1-aminocyclobutyl)phenyl]-7-phenyl-1-(pyridin-3-ylmethyl)pyrido[2,3-b][1,4]oxazin-2-one
CID 53262116
[1-[4-[1-(2-hydroxyethyl)-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclobutyl]carbamic acid
CID 90309741
[4-[2-oxo-7-phenyl-1-(2,2,2-trifluoroethyl)pyrido[2,3-b][1,4]oxazin-6-yl]phenyl]methylcarbamic acid
CID 67257667
6-[4-(1-aminocyclobutyl)phenyl]-1-(cyclopropylmethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
CID 53262178
[1-[4-[1-(cyclopropylmethyl)-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclobutyl]carbamic acid
CID 67256153
4-[4-[[4-[3-[4-[7-phenyl-6-[4-[(7-prop-2-enoyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]-5,6,7,8-tetrahydroquinolin-2-yl]phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile
CID 178031780
2-benzyl-2,8-diazaspiro[4.5]decane-8-sulfonamide
CID 136518555

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(7-ethenylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one?
The IUPAC name of 6-[4-[(7-ethenylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one (CID 178031751) is 6-[4-[(7-ethenylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one.
What is the SMILES notation for 6-[4-[(7-ethenylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one?
The canonical SMILES for 6-[4-[(7-ethenylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one is C=CS(=O)(=O)N1CCC2(CC1)CN(Cc1ccc(-c3nc4c(cc3-c3ccccc3)N(C)C(=O)CO4)cc1)C2.
What is the InChIKey of 6-[4-[(7-ethenylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one?
The InChIKey is FMGDNZXMMUAYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O4S/c1-3-39(36,37)34-15-13-30(14-16-34)20-33(21-30)18-22-9-11-24(12-10-22)28-25(23-7-5-4-6-8-23)17-26-29(31-28)38-19-27(35)32(26)2/h3-12,17H,1,13-16,18-21H2,2H3.
What are the key properties of 6-[4-[(7-ethenylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one?
6-[4-[(7-ethenylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one has a molecular weight of 544.68 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(7-ethenylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-1-methyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 178031751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).