N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide

C28H29N3O3 — CID 55343603

About N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide

N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide (PubChem CID 55343603) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
• PubChem CID: 55343603
• Molecular Formula: C28H29N3O3
• Molecular Weight: 455.56 g/mol
• Exact Mass: 455.22
• IUPAC Name: N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
• SMILES: CCN(CC(=O)NC(C)C)C(=O)c1cc(-c2ccc3cc(OC)ccc3c2)nc2ccccc12
• InChI: InChI=1S/C28H29N3O3/c1-5-31(17-27(32)29-18(2)3)28(33)24-16-26(30-25-9-7-6-8-23(24)25)21-11-10-20-15-22(34-4)13-12-19(20)14-21/h6-16,18H,5,17H2,1-4H3,(H,29,32)
• InChIKey: RVPWHHQOUBJMSA-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.56
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide?

The IUPAC name of N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide (CID 55343603) is N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide.

What is the SMILES notation for N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide?

The canonical SMILES for N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide is CCN(CC(=O)NC(C)C)C(=O)c1cc(-c2ccc3cc(OC)ccc3c2)nc2ccccc12.

What is the InChIKey of N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide?

The InChIKey is RVPWHHQOUBJMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-5-31(17-27(32)29-18(2)3)28(33)24-16-26(30-25-9-7-6-8-23(24)25)21-11-10-20-15-22(34-4)13-12-19(20)14-21/h6-16,18H,5,17H2,1-4H3,(H,29,32).

What are the key properties of N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide?

N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 55343603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).