2-amino-6-(3,6-dihydro-2H-pyran-4-yl)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide

C24H23N5O3 — CID 168731117

IUPAC2-amino-6-(3,6-dihydro-2H-pyran-4-yl)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cc(C4=CCOCC4)ccc3nc21
InChIInChI=1S/C24H23N5O3/c1-12-3-6-18(30)13(2)21(12)29-22(25)19(23(26)31)20-24(29)28-16-5-4-15(11-17(16)27-20)14-7-9-32-10-8-14/h3-7,11,30H,8-10,25H2,1-2H3,(H2,26,31)
InChIKeyMNFLSYQGWJBZNX-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.38
Rot. Bonds3

About 2-amino-6-(3,6-dihydro-2H-pyran-4-yl)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide

2-amino-6-(3,6-dihydro-2H-pyran-4-yl)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide (PubChem CID 168731117) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-amino-6-(3,6-dihydro-2H-pyran-4-yl)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-(3,6-dihydro-2H-pyran-4-yl)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide
PubChem CID168731117
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name2-amino-6-(3,6-dihydro-2H-pyran-4-yl)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cc(C4=CCOCC4)ccc3nc21
InChIInChI=1S/C24H23N5O3/c1-12-3-6-18(30)13(2)21(12)29-22(25)19(23(26)31)20-24(29)28-16-5-4-15(11-17(16)27-20)14-7-9-32-10-8-14/h3-7,11,30H,8-10,25H2,1-2H3,(H2,26,31)
InChIKeyMNFLSYQGWJBZNX-UHFFFAOYSA-N
XLogP3.38
TPSA129.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3,6-dihydro-2H-pyran-4-yl)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-6-(3,6-dihydro-2H-pyran-4-yl)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide (CID 168731117) is 2-amino-6-(3,6-dihydro-2H-pyran-4-yl)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-6-(3,6-dihydro-2H-pyran-4-yl)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-6-(3,6-dihydro-2H-pyran-4-yl)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide is Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cc(C4=CCOCC4)ccc3nc21.
What is the InChIKey of 2-amino-6-(3,6-dihydro-2H-pyran-4-yl)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide?
The InChIKey is MNFLSYQGWJBZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-12-3-6-18(30)13(2)21(12)29-22(25)19(23(26)31)20-24(29)28-16-5-4-15(11-17(16)27-20)14-7-9-32-10-8-14/h3-7,11,30H,8-10,25H2,1-2H3,(H2,26,31).
What are the key properties of 2-amino-6-(3,6-dihydro-2H-pyran-4-yl)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide?
2-amino-6-(3,6-dihydro-2H-pyran-4-yl)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3,6-dihydro-2H-pyran-4-yl)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 168731117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).