2-methyl-3-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]quinoxaline

C22H26N6 — CID 70779960

IUPAC2-methyl-3-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]quinoxaline
SMILESCc1nc2ccccc2nc1CN1CCCC12CCN(c1ncccn1)CC2
InChIInChI=1S/C22H26N6/c1-17-20(26-19-7-3-2-6-18(19)25-17)16-28-13-4-8-22(28)9-14-27(15-10-22)21-23-11-5-12-24-21/h2-3,5-7,11-12H,4,8-10,13-16H2,1H3
InChIKeyUMFJCOGWBQHFRT-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.36
Rot. Bonds3

About 2-methyl-3-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]quinoxaline

2-methyl-3-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]quinoxaline (PubChem CID 70779960) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-methyl-3-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]quinoxaline.

Molecular Properties

Compound Name2-methyl-3-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]quinoxaline
PubChem CID70779960
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name2-methyl-3-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]quinoxaline
SMILESCc1nc2ccccc2nc1CN1CCCC12CCN(c1ncccn1)CC2
InChIInChI=1S/C22H26N6/c1-17-20(26-19-7-3-2-6-18(19)25-17)16-28-13-4-8-22(28)9-14-27(15-10-22)21-23-11-5-12-24-21/h2-3,5-7,11-12H,4,8-10,13-16H2,1H3
InChIKeyUMFJCOGWBQHFRT-UHFFFAOYSA-N
XLogP3.36
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]quinoxaline?
The IUPAC name of 2-methyl-3-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]quinoxaline (CID 70779960) is 2-methyl-3-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]quinoxaline.
What is the SMILES notation for 2-methyl-3-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]quinoxaline?
The canonical SMILES for 2-methyl-3-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]quinoxaline is Cc1nc2ccccc2nc1CN1CCCC12CCN(c1ncccn1)CC2.
What is the InChIKey of 2-methyl-3-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]quinoxaline?
The InChIKey is UMFJCOGWBQHFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-17-20(26-19-7-3-2-6-18(19)25-17)16-28-13-4-8-22(28)9-14-27(15-10-22)21-23-11-5-12-24-21/h2-3,5-7,11-12H,4,8-10,13-16H2,1H3.
What are the key properties of 2-methyl-3-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]quinoxaline?
2-methyl-3-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]quinoxaline has a molecular weight of 374.49 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]quinoxaline is sourced from PubChem (CID 70779960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).