N-[3-(diethylcarbamoyl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

C23H27N3O4 — CID 56559597

About N-[3-(diethylcarbamoyl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

N-[3-(diethylcarbamoyl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56559597) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(diethylcarbamoyl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
• PubChem CID: 56559597
• Molecular Formula: C23H27N3O4
• Molecular Weight: 409.49 g/mol
• Exact Mass: 409.20
• IUPAC Name: N-[3-(diethylcarbamoyl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
• SMILES: CCN(CC)C(=O)c1cccc(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)c1
• InChI: InChI=1S/C23H27N3O4/c1-5-26(6-2)22(30)14-8-7-9-15(10-14)24-20(28)17-11-16-18(25-21(17)29)12-23(3,4)13-19(16)27/h7-11H,5-6,12-13H2,1-4H3,(H,24,28)(H,25,29)
• InChIKey: CDRYBAKJCLJBDD-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 99.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.49
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56559597) is N-[3-(diethylcarbamoyl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is CCN(CC)C(=O)c1cccc(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)c1.

What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

The InChIKey is CDRYBAKJCLJBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-5-26(6-2)22(30)14-8-7-9-15(10-14)24-20(28)17-11-16-18(25-21(17)29)12-23(3,4)13-19(16)27/h7-11H,5-6,12-13H2,1-4H3,(H,24,28)(H,25,29).

What are the key properties of N-[3-(diethylcarbamoyl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

N-[3-(diethylcarbamoyl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(diethylcarbamoyl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56559597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).