2-amino-1-[5-(hydroxymethyl)-2-methylphenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

C19H17N5O2 — CID 118386867

IUPAC2-amino-1-[5-(hydroxymethyl)-2-methylphenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCc1ccc(CO)cc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc21
InChIInChI=1S/C19H17N5O2/c1-10-6-7-11(9-25)8-14(10)24-17(20)15(18(21)26)16-19(24)23-13-5-3-2-4-12(13)22-16/h2-8,25H,9,20H2,1H3,(H2,21,26)
InChIKeyDASSXHRGQPGMQP-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.06
Rot. Bonds3

About 2-amino-1-[5-(hydroxymethyl)-2-methylphenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-1-[5-(hydroxymethyl)-2-methylphenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 118386867) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-amino-1-[5-(hydroxymethyl)-2-methylphenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-[5-(hydroxymethyl)-2-methylphenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID118386867
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-amino-1-[5-(hydroxymethyl)-2-methylphenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCc1ccc(CO)cc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc21
InChIInChI=1S/C19H17N5O2/c1-10-6-7-11(9-25)8-14(10)24-17(20)15(18(21)26)16-19(24)23-13-5-3-2-4-12(13)22-16/h2-8,25H,9,20H2,1H3,(H2,21,26)
InChIKeyDASSXHRGQPGMQP-UHFFFAOYSA-N
XLogP2.06
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
CID 91933866
ethyl 2-amino-1-benzyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
CID 705218
Ethyl 2-amino-1-(4-ethylphenyl)-1H-pyrrolo(2,3-B)quinoxaline-3-carboxylate
CID 987449
2-(4-Hydroxymethyl-phenyl)-1H-benzoimidazole-4-carboxylic acid amide
CID 10778228
2-[4-(Hydroxymethyl)phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
CID 10990023
2-Amino-1-(2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
CID 118386870
2-Amino-5-(cyclopenten-1-yl)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide
CID 168272127
2-amino-1-(5-hydroxy-2-methylphenyl)-N-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 168277242
2-Amino-8-(cyclopenten-1-yl)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 168280791
2-Amino-6-(cyclopenten-1-yl)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide
CID 168283755
2-Amino-1-(3-hydroxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 168288812
2-Amino-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 168293518

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[5-(hydroxymethyl)-2-methylphenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-1-[5-(hydroxymethyl)-2-methylphenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 118386867) is 2-amino-1-[5-(hydroxymethyl)-2-methylphenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-1-[5-(hydroxymethyl)-2-methylphenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-1-[5-(hydroxymethyl)-2-methylphenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide is Cc1ccc(CO)cc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc21.
What is the InChIKey of 2-amino-1-[5-(hydroxymethyl)-2-methylphenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is DASSXHRGQPGMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-10-6-7-11(9-25)8-14(10)24-17(20)15(18(21)26)16-19(24)23-13-5-3-2-4-12(13)22-16/h2-8,25H,9,20H2,1H3,(H2,21,26).
What are the key properties of 2-amino-1-[5-(hydroxymethyl)-2-methylphenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-1-[5-(hydroxymethyl)-2-methylphenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[5-(hydroxymethyl)-2-methylphenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 118386867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).