(4R)-N-(1H-indol-5-ylmethyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C20H19N3O3 — CID 97123757

About (4R)-N-(1H-indol-5-ylmethyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

(4R)-N-(1H-indol-5-ylmethyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 97123757) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (4R)-N-(1H-indol-5-ylmethyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

• Compound Name: (4R)-N-(1H-indol-5-ylmethyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• PubChem CID: 97123757
• Molecular Formula: C20H19N3O3
• Molecular Weight: 349.39 g/mol
• Exact Mass: 349.14
• IUPAC Name: (4R)-N-(1H-indol-5-ylmethyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• SMILES: COc1ccc2c(c1)[C@H](C(=O)NCc1ccc3[nH]ccc3c1)CC(=O)N2
• InChI: InChI=1S/C20H19N3O3/c1-26-14-3-5-18-15(9-14)16(10-19(24)23-18)20(25)22-11-12-2-4-17-13(8-12)6-7-21-17/h2-9,16,21H,10-11H2,1H3,(H,22,25)(H,23,24)/t16-/m1/s1
• InChIKey: BMOQDEQQZDQUCH-MRXNPFEDSA-N
• XLogP: 2.92
• TPSA: 83.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.39
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(1H-indol-5-ylmethyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?

The IUPAC name of (4R)-N-(1H-indol-5-ylmethyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 97123757) is (4R)-N-(1H-indol-5-ylmethyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

What is the SMILES notation for (4R)-N-(1H-indol-5-ylmethyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?

The canonical SMILES for (4R)-N-(1H-indol-5-ylmethyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is COc1ccc2c(c1)[C@H](C(=O)NCc1ccc3[nH]ccc3c1)CC(=O)N2.

What is the InChIKey of (4R)-N-(1H-indol-5-ylmethyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?

The InChIKey is BMOQDEQQZDQUCH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-26-14-3-5-18-15(9-14)16(10-19(24)23-18)20(25)22-11-12-2-4-17-13(8-12)6-7-21-17/h2-9,16,21H,10-11H2,1H3,(H,22,25)(H,23,24)/t16-/m1/s1.

What are the key properties of (4R)-N-(1H-indol-5-ylmethyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?

(4R)-N-(1H-indol-5-ylmethyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-N-(1H-indol-5-ylmethyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 97123757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).