9-(2-hydroxyethyl)-1-(quinoxaline-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

C19H22N4O3 — CID 162633260

IUPAC9-(2-hydroxyethyl)-1-(quinoxaline-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C(c1cccc2nccnc12)N1CCCC12CCCN(CCO)C2=O
InChIInChI=1S/C19H22N4O3/c24-13-12-22-10-2-6-19(18(22)26)7-3-11-23(19)17(25)14-4-1-5-15-16(14)21-9-8-20-15/h1,4-5,8-9,24H,2-3,6-7,10-13H2
InChIKeyGJKYXWOXQCDQFT-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.22
Rot. Bonds3

About 9-(2-hydroxyethyl)-1-(quinoxaline-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

9-(2-hydroxyethyl)-1-(quinoxaline-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162633260) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 9-(2-hydroxyethyl)-1-(quinoxaline-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-(2-hydroxyethyl)-1-(quinoxaline-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162633260
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name9-(2-hydroxyethyl)-1-(quinoxaline-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C(c1cccc2nccnc12)N1CCCC12CCCN(CCO)C2=O
InChIInChI=1S/C19H22N4O3/c24-13-12-22-10-2-6-19(18(22)26)7-3-11-23(19)17(25)14-4-1-5-15-16(14)21-9-8-20-15/h1,4-5,8-9,24H,2-3,6-7,10-13H2
InChIKeyGJKYXWOXQCDQFT-UHFFFAOYSA-N
XLogP1.22
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-(2-hydroxyethyl)-1-(5-methyl-1H-imidazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162633197
9-(2-hydroxyethyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162633347
9-(2-hydroxyethyl)-1-[2-(4-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 157019736
9-(2-hydroxyethyl)-1-[2-(3-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 157019313
3-(10-oxo-9-propyl-1,9-diazaspiro[4.5]decane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 162638931
1-(2,3-dichlorobenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162632388
1-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162628738
1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163313841
1-[3-(2-fluorophenyl)propanoyl]-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162635282
2-[2-oxo-8-(quinoxaline-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 70729953
1-[2-[(4-methylphenyl)methyl]benzoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162631168
2-(3-methoxypropyl)-8-(quinoxaline-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70756988

Frequently Asked Questions

What is the IUPAC name of 9-(2-hydroxyethyl)-1-(quinoxaline-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-(2-hydroxyethyl)-1-(quinoxaline-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162633260) is 9-(2-hydroxyethyl)-1-(quinoxaline-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-(2-hydroxyethyl)-1-(quinoxaline-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-(2-hydroxyethyl)-1-(quinoxaline-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is O=C(c1cccc2nccnc12)N1CCCC12CCCN(CCO)C2=O.
What is the InChIKey of 9-(2-hydroxyethyl)-1-(quinoxaline-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is GJKYXWOXQCDQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-13-12-22-10-2-6-19(18(22)26)7-3-11-23(19)17(25)14-4-1-5-15-16(14)21-9-8-20-15/h1,4-5,8-9,24H,2-3,6-7,10-13H2.
What are the key properties of 9-(2-hydroxyethyl)-1-(quinoxaline-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
9-(2-hydroxyethyl)-1-(quinoxaline-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 354.41 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-hydroxyethyl)-1-(quinoxaline-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162633260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).