2-amino-N-cyclopentyl-1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

C25H27N5O2 — CID 3770985

IUPAC2-amino-N-cyclopentyl-1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOc1ccc(CCn2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C25H27N5O2/c1-32-18-12-10-16(11-13-18)14-15-30-23(26)21(25(31)27-17-6-2-3-7-17)22-24(30)29-20-9-5-4-8-19(20)28-22/h4-5,8-13,17H,2-3,6-7,14-15,26H2,1H3,(H,27,31)
InChIKeyLASIOWXQDAMBMP-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.09
Rot. Bonds6

About 2-amino-N-cyclopentyl-1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-N-cyclopentyl-1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 3770985) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-amino-N-cyclopentyl-1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclopentyl-1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID3770985
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name2-amino-N-cyclopentyl-1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOc1ccc(CCn2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C25H27N5O2/c1-32-18-12-10-16(11-13-18)14-15-30-23(26)21(25(31)27-17-6-2-3-7-17)22-24(30)29-20-9-5-4-8-19(20)28-22/h4-5,8-13,17H,2-3,6-7,14-15,26H2,1H3,(H,27,31)
InChIKeyLASIOWXQDAMBMP-UHFFFAOYSA-N
XLogP4.09
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-[2-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2043385
2-amino-1-[2-(4-methoxyphenyl)ethyl]-N-[(2R)-6-methylheptan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 41027235
2-amino-1-dodecyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3723011
[(2S)-butan-2-yl] 2-amino-1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 7523573
2-amino-N-[(4-methoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 23994247
2-amino-N-[2-(4-methoxyphenyl)ethyl]-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 23764711
2-amino-N-(3-methylbutyl)-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2034456
2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2001714
methyl 2-amino-1-[2-(cyclohexen-1-yl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 987495
2-amino-N-cyclopentyl-1-[(E)-(2-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6888791
2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 23958920
methyl 2-amino-1-(2-aminoethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 937953

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopentyl-1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-N-cyclopentyl-1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 3770985) is 2-amino-N-cyclopentyl-1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-N-cyclopentyl-1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-N-cyclopentyl-1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide is COc1ccc(CCn2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)cc1.
What is the InChIKey of 2-amino-N-cyclopentyl-1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is LASIOWXQDAMBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-32-18-12-10-16(11-13-18)14-15-30-23(26)21(25(31)27-17-6-2-3-7-17)22-24(30)29-20-9-5-4-8-19(20)28-22/h4-5,8-13,17H,2-3,6-7,14-15,26H2,1H3,(H,27,31).
What are the key properties of 2-amino-N-cyclopentyl-1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-N-cyclopentyl-1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopentyl-1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 3770985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).