N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide

C24H31N3O5 — CID 97106465

About N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide

N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide (PubChem CID 97106465) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide.

Molecular Properties

• Compound Name: N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
• PubChem CID: 97106465
• Molecular Formula: C24H31N3O5
• Molecular Weight: 441.53 g/mol
• Exact Mass: 441.23
• IUPAC Name: N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
• SMILES: Cc1cc([C@@H](O)CCNC(=O)C(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)c(C)o1
• InChI: InChI=1S/C24H31N3O5/c1-14(2)24(31)27-11-5-6-17-7-8-18(13-20(17)27)26-23(30)22(29)25-10-9-21(28)19-12-15(3)32-16(19)4/h7-8,12-14,21,28H,5-6,9-11H2,1-4H3,(H,25,29)(H,26,30)/t21-/m0/s1
• InChIKey: CVYTVUZIDXNVCO-NRFANRHFSA-N
• XLogP: 3.01
• TPSA: 111.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.53
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide?

The IUPAC name of N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide (CID 97106465) is N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide.

What is the SMILES notation for N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide?

The canonical SMILES for N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide is Cc1cc([C@@H](O)CCNC(=O)C(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)c(C)o1.

What is the InChIKey of N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide?

The InChIKey is CVYTVUZIDXNVCO-NRFANRHFSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-14(2)24(31)27-11-5-6-17-7-8-18(13-20(17)27)26-23(30)22(29)25-10-9-21(28)19-12-15(3)32-16(19)4/h7-8,12-14,21,28H,5-6,9-11H2,1-4H3,(H,25,29)(H,26,30)/t21-/m0/s1.

What are the key properties of N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide?

N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide has a molecular weight of 441.53 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide is sourced from PubChem (CID 97106465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).