3-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide

C28H26N4O3 — CID 11662723

IUPAC3-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide
SMILESCN1C(=O)CCc2c(CCC(=O)Nc3ccc4c(c3)CC3(C4)C(=O)Nc4ncccc43)cccc21
InChIInChI=1S/C28H26N4O3/c1-32-23-6-2-4-17(21(23)10-12-25(32)34)8-11-24(33)30-20-9-7-18-15-28(16-19(18)14-20)22-5-3-13-29-26(22)31-27(28)35/h2-7,9,13-14H,8,10-12,15-16H2,1H3,(H,30,33)(H,29,31,35)
InChIKeyIIQWKLNXWIPIIM-UHFFFAOYSA-N
MW466.54 g/mol
LogP3.55
Rot. Bonds4

About 3-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide

3-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide (PubChem CID 11662723) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is 3-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide.

Molecular Properties

Compound Name3-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide
PubChem CID11662723
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Name3-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide
SMILESCN1C(=O)CCc2c(CCC(=O)Nc3ccc4c(c3)CC3(C4)C(=O)Nc4ncccc43)cccc21
InChIInChI=1S/C28H26N4O3/c1-32-23-6-2-4-17(21(23)10-12-25(32)34)8-11-24(33)30-20-9-7-18-15-28(16-19(18)14-20)22-5-3-13-29-26(22)31-27(28)35/h2-7,9,13-14H,8,10-12,15-16H2,1H3,(H,30,33)(H,29,31,35)
InChIKeyIIQWKLNXWIPIIM-UHFFFAOYSA-N
XLogP3.55
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide with MolForge

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Related Compounds

2-(7-methyl-6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 11698614
methyl-[[2-[[[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]amino]methyl]phenyl]methyl]carbamic acid
CID 146571919
2-(7-acetamido-1-formylindol-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 143201119
2-(9-methyl-2,10-dioxo-1,3,9-triazatricyclo[6.5.1.04,14]tetradeca-4(14),5,7-trien-3-yl)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide
CID 25127676
2-[methyl(nonyl)amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 71064178
2-[[2-(methylaminomethyl)phenyl]methyl-(propan-2-ylcarbamoyl)amino]-N-[(2S)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
CID 135381653
2-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 174280777
2-[3-(3,5-difluorophenyl)-1,3-dimethyl-5-oxo-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 75586310
N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]piperidine-1-carboxamide
CID 142473371
N-[(2-acetylphenyl)methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
CID 142473423
2-[(6S)-6-(2,6-difluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2S)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
CID 45485692
2-[(5S)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 11712166

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide?
The IUPAC name of 3-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide (CID 11662723) is 3-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide.
What is the SMILES notation for 3-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide?
The canonical SMILES for 3-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide is CN1C(=O)CCc2c(CCC(=O)Nc3ccc4c(c3)CC3(C4)C(=O)Nc4ncccc43)cccc21.
What is the InChIKey of 3-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide?
The InChIKey is IIQWKLNXWIPIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-32-23-6-2-4-17(21(23)10-12-25(32)34)8-11-24(33)30-20-9-7-18-15-28(16-19(18)14-20)22-5-3-13-29-26(22)31-27(28)35/h2-7,9,13-14H,8,10-12,15-16H2,1H3,(H,30,33)(H,29,31,35).
What are the key properties of 3-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide?
3-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide has a molecular weight of 466.54 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide is sourced from PubChem (CID 11662723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).