N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide

C17H24N2O2 — CID 30211328

About N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide

N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide (PubChem CID 30211328) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
• PubChem CID: 30211328
• Molecular Formula: C17H24N2O2
• Molecular Weight: 288.39 g/mol
• Exact Mass: 288.18
• IUPAC Name: N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
• SMILES: CC(C)[C@H](C)NC(=O)CC[C@@H]1Cc2ccccc2NC1=O
• InChI: InChI=1S/C17H24N2O2/c1-11(2)12(3)18-16(20)9-8-14-10-13-6-4-5-7-15(13)19-17(14)21/h4-7,11-12,14H,8-10H2,1-3H3,(H,18,20)(H,19,21)/t12-,14+/m0/s1
• InChIKey: ZBPCNWKSVNGYBE-GXTWGEPZSA-N
• XLogP: 2.74
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.39
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide (CID 30211328) is N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide.

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

The canonical SMILES for N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide is CC(C)[C@H](C)NC(=O)CC[C@@H]1Cc2ccccc2NC1=O.

What is the InChIKey of N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?

The InChIKey is ZBPCNWKSVNGYBE-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11(2)12(3)18-16(20)9-8-14-10-13-6-4-5-7-15(13)19-17(14)21/h4-7,11-12,14H,8-10H2,1-3H3,(H,18,20)(H,19,21)/t12-,14+/m0/s1.

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

N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide has a molecular weight of 288.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide is sourced from PubChem (CID 30211328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).