2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C20H23N5O — CID 71731146

IUPAC2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(C)(C)C
InChIInChI=1S/C20H23N5O/c1-11-18(25-20(2,3)4)24-17-12(6-5-7-15(17)22-11)16-10-13-14(23-16)8-9-21-19(13)26/h5-7,10,23H,8-9H2,1-4H3,(H,21,26)(H,24,25)
InChIKeyKIPSRZQNNGSYJE-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.43
Rot. Bonds2

About 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 71731146) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID71731146
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(C)(C)C
InChIInChI=1S/C20H23N5O/c1-11-18(25-20(2,3)4)24-17-12(6-5-7-15(17)22-11)16-10-13-14(23-16)8-9-21-19(13)26/h5-7,10,23H,8-9H2,1-4H3,(H,21,26)(H,24,25)
InChIKeyKIPSRZQNNGSYJE-UHFFFAOYSA-N
XLogP3.43
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 71731146) is 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(C)(C)C.
What is the InChIKey of 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is KIPSRZQNNGSYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-11-18(25-20(2,3)4)24-17-12(6-5-7-15(17)22-11)16-10-13-14(23-16)8-9-21-19(13)26/h5-7,10,23H,8-9H2,1-4H3,(H,21,26)(H,24,25).
What are the key properties of 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 349.44 g/mol, XLogP of 3.43, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 71731146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).