(5R)-3-methyl-9-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C20H24N4O4 — CID 95719850

IUPAC(5R)-3-methyl-9-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCN1C[C@]2(CCCN(C(=O)CCc3nc4ccccc4[nH]c3=O)CC2)OC1=O
InChIInChI=1S/C20H24N4O4/c1-23-13-20(28-19(23)27)9-4-11-24(12-10-20)17(25)8-7-16-18(26)22-15-6-3-2-5-14(15)21-16/h2-3,5-6H,4,7-13H2,1H3,(H,22,26)/t20-/m1/s1
InChIKeyPFKQANXFXWOHPV-HXUWFJFHSA-N
MW384.44 g/mol
LogP1.69
Rot. Bonds3

About (5R)-3-methyl-9-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

(5R)-3-methyl-9-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 95719850) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is (5R)-3-methyl-9-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5R)-3-methyl-9-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID95719850
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name(5R)-3-methyl-9-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCN1C[C@]2(CCCN(C(=O)CCc3nc4ccccc4[nH]c3=O)CC2)OC1=O
InChIInChI=1S/C20H24N4O4/c1-23-13-20(28-19(23)27)9-4-11-24(12-10-20)17(25)8-7-16-18(26)22-15-6-3-2-5-14(15)21-16/h2-3,5-6H,4,7-13H2,1H3,(H,22,26)/t20-/m1/s1
InChIKeyPFKQANXFXWOHPV-HXUWFJFHSA-N
XLogP1.69
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1'-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734214
3-[3-[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 56910348
3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110799968
(5R)-9-[3-(1H-benzimidazol-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95720370
(5S)-9-[3-(1H-benzimidazol-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95720371
3-[3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110741171
3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 23474428
3-[3-oxo-3-[4-(2-oxopropyl)piperazin-1-yl]propyl]-1H-quinoxalin-2-one
CID 110665541
(5S)-3-methyl-9-[3-(2-oxo-3H-benzimidazol-1-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99970275
3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one
CID 8853290
3-methyl-9-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56897333
(5S)-9-[3-(3,4-dimethoxyphenyl)propanoyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724380

Frequently Asked Questions

What is the IUPAC name of (5R)-3-methyl-9-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5R)-3-methyl-9-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 95719850) is (5R)-3-methyl-9-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5R)-3-methyl-9-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5R)-3-methyl-9-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is CN1C[C@]2(CCCN(C(=O)CCc3nc4ccccc4[nH]c3=O)CC2)OC1=O.
What is the InChIKey of (5R)-3-methyl-9-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is PFKQANXFXWOHPV-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-23-13-20(28-19(23)27)9-4-11-24(12-10-20)17(25)8-7-16-18(26)22-15-6-3-2-5-14(15)21-16/h2-3,5-6H,4,7-13H2,1H3,(H,22,26)/t20-/m1/s1.
What are the key properties of (5R)-3-methyl-9-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
(5R)-3-methyl-9-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 384.44 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-methyl-9-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 95719850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).