N-[(2,3-dimethoxyphenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide

C26H28N4O3 — CID 22522901

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCCN(c3nc4ccccc4n4cccc34)C2)c1OC
InChIInChI=1S/C26H28N4O3/c1-32-23-13-5-8-18(24(23)33-2)16-27-26(31)19-9-6-14-29(17-19)25-22-12-7-15-30(22)21-11-4-3-10-20(21)28-25/h3-5,7-8,10-13,15,19H,6,9,14,16-17H2,1-2H3,(H,27,31)
InChIKeyRTZTWYNPKBQRJN-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.04
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide

N-[(2,3-dimethoxyphenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide (PubChem CID 22522901) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
PubChem CID22522901
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCCN(c3nc4ccccc4n4cccc34)C2)c1OC
InChIInChI=1S/C26H28N4O3/c1-32-23-13-5-8-18(24(23)33-2)16-27-26(31)19-9-6-14-29(17-19)25-22-12-7-15-30(22)21-11-4-3-10-20(21)28-25/h3-5,7-8,10-13,15,19H,6,9,14,16-17H2,1-2H3,(H,27,31)
InChIKeyRTZTWYNPKBQRJN-UHFFFAOYSA-N
XLogP4.04
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-[(2-methoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 92870531
(3R)-N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 51492751
N-[(3-fluorophenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522906
N-[(2-ethoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 46328215
N-(2-phenylethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522896
1-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 22522868
N-cyclopentyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522891
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 46328224
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carboxamide
CID 42275679
(3R)-N-[(2-ethoxyphenyl)methyl]-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 30454638
1-(4-methyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53070339
(3S)-N-[(3-methoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 92870533

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide (CID 22522901) is N-[(2,3-dimethoxyphenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide is COc1cccc(CNC(=O)C2CCCN(c3nc4ccccc4n4cccc34)C2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide?
The InChIKey is RTZTWYNPKBQRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-32-23-13-5-8-18(24(23)33-2)16-27-26(31)19-9-6-14-29(17-19)25-22-12-7-15-30(22)21-11-4-3-10-20(21)28-25/h3-5,7-8,10-13,15,19H,6,9,14,16-17H2,1-2H3,(H,27,31).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide?
N-[(2,3-dimethoxyphenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 22522901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).