6-methyl-4-[2-oxo-2-[(5R)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,4-benzoxazin-3-one

C19H23N3O4 — CID 97145463

IUPAC6-methyl-4-[2-oxo-2-[(5R)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)N(CC(=O)N1CC[C@]3(CCCNC3=O)C1)C(=O)CO2
InChIInChI=1S/C19H23N3O4/c1-13-3-4-15-14(9-13)22(17(24)11-26-15)10-16(23)21-8-6-19(12-21)5-2-7-20-18(19)25/h3-4,9H,2,5-8,10-12H2,1H3,(H,20,25)/t19-/m1/s1
InChIKeyCHRQWCKZJHXFQZ-LJQANCHMSA-N
MW357.41 g/mol
LogP0.85
Rot. Bonds2

About 6-methyl-4-[2-oxo-2-[(5R)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,4-benzoxazin-3-one

6-methyl-4-[2-oxo-2-[(5R)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,4-benzoxazin-3-one (PubChem CID 97145463) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 6-methyl-4-[2-oxo-2-[(5R)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-methyl-4-[2-oxo-2-[(5R)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,4-benzoxazin-3-one
PubChem CID97145463
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name6-methyl-4-[2-oxo-2-[(5R)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)N(CC(=O)N1CC[C@]3(CCCNC3=O)C1)C(=O)CO2
InChIInChI=1S/C19H23N3O4/c1-13-3-4-15-14(9-13)22(17(24)11-26-15)10-16(23)21-8-6-19(12-21)5-2-7-20-18(19)25/h3-4,9H,2,5-8,10-12H2,1H3,(H,20,25)/t19-/m1/s1
InChIKeyCHRQWCKZJHXFQZ-LJQANCHMSA-N
XLogP0.85
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-4-[2-oxo-2-[(5R)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,4-benzoxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

4-[2-[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]-6-methyl-1,4-benzoxazin-3-one
CID 56753765
7-methyl-4-(2-oxo-2-piperazin-1-ylethyl)-1,4-benzoxazin-3-one
CID 39161811
7-methyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 3956945
4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,4-benzoxazin-3-one
CID 5055436
methyl 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 3154550
6-hydroxy-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 82063360
2-[1-(4-methylphenyl)cyclopropanecarbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72879316
6-chloro-4-[2-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 138999707
(5S)-2-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97154582
4-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 120809461
4-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53012363
2-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72922471

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[2-oxo-2-[(5R)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,4-benzoxazin-3-one?
The IUPAC name of 6-methyl-4-[2-oxo-2-[(5R)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,4-benzoxazin-3-one (CID 97145463) is 6-methyl-4-[2-oxo-2-[(5R)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-methyl-4-[2-oxo-2-[(5R)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 6-methyl-4-[2-oxo-2-[(5R)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,4-benzoxazin-3-one is Cc1ccc2c(c1)N(CC(=O)N1CC[C@]3(CCCNC3=O)C1)C(=O)CO2.
What is the InChIKey of 6-methyl-4-[2-oxo-2-[(5R)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,4-benzoxazin-3-one?
The InChIKey is CHRQWCKZJHXFQZ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13-3-4-15-14(9-13)22(17(24)11-26-15)10-16(23)21-8-6-19(12-21)5-2-7-20-18(19)25/h3-4,9H,2,5-8,10-12H2,1H3,(H,20,25)/t19-/m1/s1.
What are the key properties of 6-methyl-4-[2-oxo-2-[(5R)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,4-benzoxazin-3-one?
6-methyl-4-[2-oxo-2-[(5R)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,4-benzoxazin-3-one has a molecular weight of 357.41 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[2-oxo-2-[(5R)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 97145463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).