2-[(1-methylindol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one

C27H29N5O — CID 53259117

IUPAC2-[(1-methylindol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILESCn1ccc2c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)cccc21
InChIInChI=1S/C27H29N5O/c1-30-15-10-21-20(6-4-9-24(21)30)19-32-14-5-11-27(26(32)33)12-16-31(17-13-27)25-18-28-22-7-2-3-8-23(22)29-25/h2-4,6-10,15,18H,5,11-14,16-17,19H2,1H3
InChIKeyUAJUSLHTLYNZMU-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.53
Rot. Bonds3

About 2-[(1-methylindol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one

2-[(1-methylindol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 53259117) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-[(1-methylindol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-[(1-methylindol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID53259117
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC Name2-[(1-methylindol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILESCn1ccc2c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)cccc21
InChIInChI=1S/C27H29N5O/c1-30-15-10-21-20(6-4-9-24(21)30)19-32-14-5-11-27(26(32)33)12-16-31(17-13-27)25-18-28-22-7-2-3-8-23(22)29-25/h2-4,6-10,15,18H,5,11-14,16-17,19H2,1H3
InChIKeyUAJUSLHTLYNZMU-UHFFFAOYSA-N
XLogP4.53
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylindol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-[(1-methylindol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one (CID 53259117) is 2-[(1-methylindol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-[(1-methylindol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-[(1-methylindol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one is Cn1ccc2c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)cccc21.
What is the InChIKey of 2-[(1-methylindol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is UAJUSLHTLYNZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O/c1-30-15-10-21-20(6-4-9-24(21)30)19-32-14-5-11-27(26(32)33)12-16-31(17-13-27)25-18-28-22-7-2-3-8-23(22)29-25/h2-4,6-10,15,18H,5,11-14,16-17,19H2,1H3.
What are the key properties of 2-[(1-methylindol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
2-[(1-methylindol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 439.56 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylindol-4-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 53259117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).