2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-N-[(1R)-1-phenylethyl]propanamide

C32H32N4O2 — CID 52940932

About 2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-N-[(1R)-1-phenylethyl]propanamide

2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-N-[(1R)-1-phenylethyl]propanamide (PubChem CID 52940932) has the molecular formula C32H32N4O2 and a molecular weight of 504.63 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-N-[(1R)-1-phenylethyl]propanamide.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-N-[(1R)-1-phenylethyl]propanamide
• PubChem CID: 52940932
• Molecular Formula: C32H32N4O2
• Molecular Weight: 504.63 g/mol
• Exact Mass: 504.25
• IUPAC Name: 2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-N-[(1R)-1-phenylethyl]propanamide
• SMILES: C[C@H](c1ccccc1)N(Cc1cnc2cc3c(cc2c1)C[C@@]1(C3)C(=O)Nc2ncccc21)C(=O)C(C)(C)C
• InChI: InChI=1S/C32H32N4O2/c1-20(22-9-6-5-7-10-22)36(30(38)31(2,3)4)19-21-13-23-14-24-16-32(17-25(24)15-27(23)34-18-21)26-11-8-12-33-28(26)35-29(32)37/h5-15,18,20H,16-17,19H2,1-4H3,(H,33,35,37)/t20-,32+/m1/s1
• InChIKey: JMMPKBPGSBAYSV-CGKQSPDFSA-N
• XLogP: 5.75
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.63
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-N-[(1R)-1-phenylethyl]propanamide?

The IUPAC name of 2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-N-[(1R)-1-phenylethyl]propanamide (CID 52940932) is 2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-N-[(1R)-1-phenylethyl]propanamide.

What is the SMILES notation for 2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-N-[(1R)-1-phenylethyl]propanamide?

The canonical SMILES for 2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-N-[(1R)-1-phenylethyl]propanamide is C[C@H](c1ccccc1)N(Cc1cnc2cc3c(cc2c1)C[C@@]1(C3)C(=O)Nc2ncccc21)C(=O)C(C)(C)C.

What is the InChIKey of 2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-N-[(1R)-1-phenylethyl]propanamide?

The InChIKey is JMMPKBPGSBAYSV-CGKQSPDFSA-N. The full InChI is InChI=1S/C32H32N4O2/c1-20(22-9-6-5-7-10-22)36(30(38)31(2,3)4)19-21-13-23-14-24-16-32(17-25(24)15-27(23)34-18-21)26-11-8-12-33-28(26)35-29(32)37/h5-15,18,20H,16-17,19H2,1-4H3,(H,33,35,37)/t20-,32+/m1/s1.

What are the key properties of 2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-N-[(1R)-1-phenylethyl]propanamide?

2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-N-[(1R)-1-phenylethyl]propanamide has a molecular weight of 504.63 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-N-[(1R)-1-phenylethyl]propanamide is sourced from PubChem (CID 52940932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).