5-(2-morpholin-4-ium-4-ylethyl)pyrrolo[1,2-a]quinoxalin-4-one chloride

C17H20ClN3O2 — CID 110186954

IUPAC5-(2-morpholin-4-ium-4-ylethyl)pyrrolo[1,2-a]quinoxalin-4-one chloride
SMILESO=c1c2cccn2c2ccccc2n1CC[NH+]1CCOCC1.[Cl-]
InChIInChI=1S/C17H19N3O2.ClH/c21-17-16-6-3-7-19(16)14-4-1-2-5-15(14)20(17)9-8-18-10-12-22-13-11-18;/h1-7H,8-13H2;1H
InChIKeyPXVPEIUQHUYBQL-UHFFFAOYSA-N
MW333.82 g/mol
LogP-2.83
Rot. Bonds3

About 5-(2-morpholin-4-ium-4-ylethyl)pyrrolo[1,2-a]quinoxalin-4-one chloride

5-(2-morpholin-4-ium-4-ylethyl)pyrrolo[1,2-a]quinoxalin-4-one chloride (PubChem CID 110186954) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 5-(2-morpholin-4-ium-4-ylethyl)pyrrolo[1,2-a]quinoxalin-4-one chloride.

Molecular Properties

Compound Name5-(2-morpholin-4-ium-4-ylethyl)pyrrolo[1,2-a]quinoxalin-4-one chloride
PubChem CID110186954
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name5-(2-morpholin-4-ium-4-ylethyl)pyrrolo[1,2-a]quinoxalin-4-one chloride
SMILESO=c1c2cccn2c2ccccc2n1CC[NH+]1CCOCC1.[Cl-]
InChIInChI=1S/C17H19N3O2.ClH/c21-17-16-6-3-7-19(16)14-4-1-2-5-15(14)20(17)9-8-18-10-12-22-13-11-18;/h1-7H,8-13H2;1H
InChIKeyPXVPEIUQHUYBQL-UHFFFAOYSA-N
XLogP-2.83
TPSA40.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 5-2.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-9-ium-4-yl)ethyl]morpholin-4-ium dichloride
CID 44656530
4-[2-(1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-5-ium-10-yl)ethyl]morpholin-4-ium dichloride
CID 44657714
12-methoxy-8-[3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one chloride
CID 110188131
8-(2-phenylethyl)-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
CID 110186700
2-(morpholin-4-ium-4-ylmethyl)isoindole-1,3-dione
CID 3462694
8-[3-[4-[bis(4-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]propyl]-12-chloro-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one dichloride
CID 110188348
2-[(2,6-difluorophenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)quinazolin-4-one
CID 4524974
5-[3-(4-pyrimidin-5-ylpiperazin-1-yl)propyl]pyrrolo[1,2-a]quinoxalin-4-one
CID 135371809
5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-one
CID 57382073
N-(2-morpholin-4-ylethyl)-3-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)propanamide
CID 46274016
1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]ethanol chloride
CID 44657471
1-(5-chloro-2-pyridinyl)-3-[2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)ethyl]thiourea
CID 3002310

Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-ium-4-ylethyl)pyrrolo[1,2-a]quinoxalin-4-one chloride?
The IUPAC name of 5-(2-morpholin-4-ium-4-ylethyl)pyrrolo[1,2-a]quinoxalin-4-one chloride (CID 110186954) is 5-(2-morpholin-4-ium-4-ylethyl)pyrrolo[1,2-a]quinoxalin-4-one chloride.
What is the SMILES notation for 5-(2-morpholin-4-ium-4-ylethyl)pyrrolo[1,2-a]quinoxalin-4-one chloride?
The canonical SMILES for 5-(2-morpholin-4-ium-4-ylethyl)pyrrolo[1,2-a]quinoxalin-4-one chloride is O=c1c2cccn2c2ccccc2n1CC[NH+]1CCOCC1.[Cl-].
What is the InChIKey of 5-(2-morpholin-4-ium-4-ylethyl)pyrrolo[1,2-a]quinoxalin-4-one chloride?
The InChIKey is PXVPEIUQHUYBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2.ClH/c21-17-16-6-3-7-19(16)14-4-1-2-5-15(14)20(17)9-8-18-10-12-22-13-11-18;/h1-7H,8-13H2;1H.
What are the key properties of 5-(2-morpholin-4-ium-4-ylethyl)pyrrolo[1,2-a]quinoxalin-4-one chloride?
5-(2-morpholin-4-ium-4-ylethyl)pyrrolo[1,2-a]quinoxalin-4-one chloride has a molecular weight of 333.82 g/mol, XLogP of -2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-ium-4-ylethyl)pyrrolo[1,2-a]quinoxalin-4-one chloride is sourced from PubChem (CID 110186954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).