2-(2-hydroxyethyl)-9-[(3-methylquinoxalin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C21H28N4O2 — CID 70784143

IUPAC2-(2-hydroxyethyl)-9-[(3-methylquinoxalin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nc2ccccc2nc1CN1CCC2(CCC(=O)N(CCO)C2)CC1
InChIInChI=1S/C21H28N4O2/c1-16-19(23-18-5-3-2-4-17(18)22-16)14-24-10-8-21(9-11-24)7-6-20(27)25(15-21)12-13-26/h2-5,26H,6-15H2,1H3
InChIKeyCLGMQYUJDXZELE-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.14
Rot. Bonds4

About 2-(2-hydroxyethyl)-9-[(3-methylquinoxalin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(2-hydroxyethyl)-9-[(3-methylquinoxalin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70784143) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-9-[(3-methylquinoxalin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-9-[(3-methylquinoxalin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70784143
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-(2-hydroxyethyl)-9-[(3-methylquinoxalin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nc2ccccc2nc1CN1CCC2(CCC(=O)N(CCO)C2)CC1
InChIInChI=1S/C21H28N4O2/c1-16-19(23-18-5-3-2-4-17(18)22-16)14-24-10-8-21(9-11-24)7-6-20(27)25(15-21)12-13-26/h2-5,26H,6-15H2,1H3
InChIKeyCLGMQYUJDXZELE-UHFFFAOYSA-N
XLogP2.14
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-9-[(3-methylquinoxalin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-9-[(3-methylquinoxalin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70784143) is 2-(2-hydroxyethyl)-9-[(3-methylquinoxalin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-9-[(3-methylquinoxalin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-9-[(3-methylquinoxalin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1nc2ccccc2nc1CN1CCC2(CCC(=O)N(CCO)C2)CC1.
What is the InChIKey of 2-(2-hydroxyethyl)-9-[(3-methylquinoxalin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is CLGMQYUJDXZELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-16-19(23-18-5-3-2-4-17(18)22-16)14-24-10-8-21(9-11-24)7-6-20(27)25(15-21)12-13-26/h2-5,26H,6-15H2,1H3.
What are the key properties of 2-(2-hydroxyethyl)-9-[(3-methylquinoxalin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-hydroxyethyl)-9-[(3-methylquinoxalin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 368.48 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-9-[(3-methylquinoxalin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70784143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).