2-ethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide

C26H32N4O3 — CID 97310737

About 2-ethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide

2-ethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide (PubChem CID 97310737) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-ethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
• PubChem CID: 97310737
• Molecular Formula: C26H32N4O3
• Molecular Weight: 448.57 g/mol
• Exact Mass: 448.25
• IUPAC Name: 2-ethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
• SMILES: CCN1CCc2nc3ccccc3c(C(=O)NC[C@@H](c3ccc(C)o3)N3CCOCC3)c2C1
• InChI: InChI=1S/C26H32N4O3/c1-3-29-11-10-22-20(17-29)25(19-6-4-5-7-21(19)28-22)26(31)27-16-23(24-9-8-18(2)33-24)30-12-14-32-15-13-30/h4-9,23H,3,10-17H2,1-2H3,(H,27,31)/t23-/m0/s1
• InChIKey: WIENHCNRLVTRLS-QHCPKHFHSA-N
• XLogP: 3.32
• TPSA: 70.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.57
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?

The IUPAC name of 2-ethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide (CID 97310737) is 2-ethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide.

What is the SMILES notation for 2-ethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?

The canonical SMILES for 2-ethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide is CCN1CCc2nc3ccccc3c(C(=O)NC[C@@H](c3ccc(C)o3)N3CCOCC3)c2C1.

What is the InChIKey of 2-ethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?

The InChIKey is WIENHCNRLVTRLS-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-3-29-11-10-22-20(17-29)25(19-6-4-5-7-21(19)28-22)26(31)27-16-23(24-9-8-18(2)33-24)30-12-14-32-15-13-30/h4-9,23H,3,10-17H2,1-2H3,(H,27,31)/t23-/m0/s1.

What are the key properties of 2-ethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?

2-ethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide is sourced from PubChem (CID 97310737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).