3-indolo[3,2-b]quinoxalin-6-yl-N-(oxolan-2-ylmethyl)propanamide

C22H22N4O2 — CID 108794711

IUPAC3-indolo[3,2-b]quinoxalin-6-yl-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCn1c2ccccc2c2nc3ccccc3nc21)NCC1CCCO1
InChIInChI=1S/C22H22N4O2/c27-20(23-14-15-6-5-13-28-15)11-12-26-19-10-4-1-7-16(19)21-22(26)25-18-9-3-2-8-17(18)24-21/h1-4,7-10,15H,5-6,11-14H2,(H,23,27)
InChIKeyKKYWKONMPBGWGR-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.42
Rot. Bonds5

About 3-indolo[3,2-b]quinoxalin-6-yl-N-(oxolan-2-ylmethyl)propanamide

3-indolo[3,2-b]quinoxalin-6-yl-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 108794711) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-indolo[3,2-b]quinoxalin-6-yl-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-indolo[3,2-b]quinoxalin-6-yl-N-(oxolan-2-ylmethyl)propanamide
PubChem CID108794711
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-indolo[3,2-b]quinoxalin-6-yl-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCn1c2ccccc2c2nc3ccccc3nc21)NCC1CCCO1
InChIInChI=1S/C22H22N4O2/c27-20(23-14-15-6-5-13-28-15)11-12-26-19-10-4-1-7-16(19)21-22(26)25-18-9-3-2-8-17(18)24-21/h1-4,7-10,15H,5-6,11-14H2,(H,23,27)
InChIKeyKKYWKONMPBGWGR-UHFFFAOYSA-N
XLogP3.42
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 36994619
N-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794841
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3830051
[4-(2-indolo[3,2-b]quinoxalin-6-ylethyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 35045548
N-[[(2S)-oxolan-2-yl]methyl]-3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanamide
CID 8850288
3-indolo[3,2-b]quinoxalin-6-yl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108737510
3-[4-oxo-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanylquinazolin-3-yl]-N-(2-phenylethyl)propanamide
CID 92694655
N-(3-formamidopropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794820
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806354
2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92869820
N-(2-fluorophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806337
3-indolo[3,2-b]quinoxalin-6-yl-N-(2-iodophenyl)propanamide
CID 108794763

Frequently Asked Questions

What is the IUPAC name of 3-indolo[3,2-b]quinoxalin-6-yl-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-indolo[3,2-b]quinoxalin-6-yl-N-(oxolan-2-ylmethyl)propanamide (CID 108794711) is 3-indolo[3,2-b]quinoxalin-6-yl-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-indolo[3,2-b]quinoxalin-6-yl-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-indolo[3,2-b]quinoxalin-6-yl-N-(oxolan-2-ylmethyl)propanamide is O=C(CCn1c2ccccc2c2nc3ccccc3nc21)NCC1CCCO1.
What is the InChIKey of 3-indolo[3,2-b]quinoxalin-6-yl-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is KKYWKONMPBGWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-20(23-14-15-6-5-13-28-15)11-12-26-19-10-4-1-7-16(19)21-22(26)25-18-9-3-2-8-17(18)24-21/h1-4,7-10,15H,5-6,11-14H2,(H,23,27).
What are the key properties of 3-indolo[3,2-b]quinoxalin-6-yl-N-(oxolan-2-ylmethyl)propanamide?
3-indolo[3,2-b]quinoxalin-6-yl-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 374.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indolo[3,2-b]quinoxalin-6-yl-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 108794711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).