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

C19H17N5O2 — CID 118386917

IUPAC2-amino-1-(5-methoxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOc1ccc(C)c(-n2c(N)c(C(N)=O)c3nc4ccccc4nc32)c1
InChIInChI=1S/C19H17N5O2/c1-10-7-8-11(26-2)9-14(10)24-17(20)15(18(21)25)16-19(24)23-13-6-4-3-5-12(13)22-16/h3-9H,20H2,1-2H3,(H2,21,25)
InChIKeyYKUQAHASVYSMDV-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.57
Rot. Bonds3

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

2-amino-1-(5-methoxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 118386917) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-amino-1-(5-methoxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(5-methoxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID118386917
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-amino-1-(5-methoxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOc1ccc(C)c(-n2c(N)c(C(N)=O)c3nc4ccccc4nc32)c1
InChIInChI=1S/C19H17N5O2/c1-10-7-8-11(26-2)9-14(10)24-17(20)15(18(21)25)16-19(24)23-13-6-4-3-5-12(13)22-16/h3-9H,20H2,1-2H3,(H2,21,25)
InChIKeyYKUQAHASVYSMDV-UHFFFAOYSA-N
XLogP2.57
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
CID 938979
(1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
CID 91933866
(1P)-2-amino-6-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
CID 164575522
(1P)-2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
CID 164575523
ethyl 2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
CID 987485
11-(4-methoxyphenyl)-7,9-dimethylpyrimido[4',5':3,4]pyrrolo[2,1-c][1,2,4]benzotriazine-8,10(7H,9H)-dione
CID 1204923
17-(Furan-2-ylmethyl)-13-[(4-methoxyphenyl)methyl]-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 659878
2-(4-ethoxyphenyl)-9-(3-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 7422842
2-(4-Methoxy-phenyl)-1-methyl-1H-benzoimidazole-4-carboxylic acid amide
CID 10540772
4-Carbamoyl-2-(4-methoxy-phenyl)-benzoimidazole-1-carboxylic acid benzyl ester
CID 10834881
2-(2-Methoxy-6,7-dimethylimidazo[1,5-a]pyrido[3,2-e]pyrazin-9-yl)benzamide
CID 42629944
3-(2-Methoxy-6,7-dimethylimidazo[1,5-a]pyrido[3,2-e]pyrazin-9-yl)benzamide
CID 42630062

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-methoxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-1-(5-methoxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 118386917) is 2-amino-1-(5-methoxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-1-(5-methoxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-1-(5-methoxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is COc1ccc(C)c(-n2c(N)c(C(N)=O)c3nc4ccccc4nc32)c1.
What is the InChIKey of 2-amino-1-(5-methoxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is YKUQAHASVYSMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-10-7-8-11(26-2)9-14(10)24-17(20)15(18(21)25)16-19(24)23-13-6-4-3-5-12(13)22-16/h3-9H,20H2,1-2H3,(H2,21,25).
What are the key properties of 2-amino-1-(5-methoxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-1-(5-methoxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-methoxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 118386917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).