N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C27H27N3O2 — CID 55895212

About N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 55895212) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
• PubChem CID: 55895212
• Molecular Formula: C27H27N3O2
• Molecular Weight: 425.53 g/mol
• Exact Mass: 425.21
• IUPAC Name: N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
• SMILES: O=C(CCC1Cc2ccccc2NC1=O)Nc1ccccc1CN1CCc2ccccc21
• InChI: InChI=1S/C27H27N3O2/c31-26(14-13-21-17-20-8-1-4-10-23(20)29-27(21)32)28-24-11-5-2-9-22(24)18-30-16-15-19-7-3-6-12-25(19)30/h1-12,21H,13-18H2,(H,28,31)(H,29,32)
• InChIKey: OYRWETZCVHVFDT-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.53
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?

The IUPAC name of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 55895212) is N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

What is the SMILES notation for N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?

The canonical SMILES for N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is O=C(CCC1Cc2ccccc2NC1=O)Nc1ccccc1CN1CCc2ccccc21.

What is the InChIKey of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?

The InChIKey is OYRWETZCVHVFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c31-26(14-13-21-17-20-8-1-4-10-23(20)29-27(21)32)28-24-11-5-2-9-22(24)18-30-16-15-19-7-3-6-12-25(19)30/h1-12,21H,13-18H2,(H,28,31)(H,29,32).

What are the key properties of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?

N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 425.53 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 55895212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).