2-[2-(tert-butylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C20H22N4O — CID 71730504

IUPAC2-[2-(tert-butylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCC(C)(C)Nc1ccc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1
InChIInChI=1S/C20H22N4O/c1-20(2,3)24-17-8-7-12-5-4-6-13(18(12)23-17)16-11-14-15(22-16)9-10-21-19(14)25/h4-8,11,22H,9-10H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyHMFFXQOXUNOHJJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.73
Rot. Bonds2

About 2-[2-(tert-butylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-[2-(tert-butylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 71730504) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-(tert-butylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID71730504
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[2-(tert-butylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCC(C)(C)Nc1ccc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1
InChIInChI=1S/C20H22N4O/c1-20(2,3)24-17-8-7-12-5-4-6-13(18(12)23-17)16-11-14-15(22-16)9-10-21-19(14)25/h4-8,11,22H,9-10H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyHMFFXQOXUNOHJJ-UHFFFAOYSA-N
XLogP3.73
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[2-(tert-butylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 71730504) is 2-[2-(tert-butylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[2-(tert-butylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[2-(tert-butylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is CC(C)(C)Nc1ccc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1.
What is the InChIKey of 2-[2-(tert-butylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is HMFFXQOXUNOHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-20(2,3)24-17-8-7-12-5-4-6-13(18(12)23-17)16-11-14-15(22-16)9-10-21-19(14)25/h4-8,11,22H,9-10H2,1-3H3,(H,21,25)(H,23,24).
What are the key properties of 2-[2-(tert-butylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-[2-(tert-butylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 334.42 g/mol, XLogP of 3.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 71730504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).