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

C24H27N3O4 — CID 56565251

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

7,7-dimethyl-2,5-dioxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56565251) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 7,7-dimethyl-2,5-dioxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 7,7-dimethyl-2,5-dioxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide
• PubChem CID: 56565251
• Molecular Formula: C24H27N3O4
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.20
• IUPAC Name: 7,7-dimethyl-2,5-dioxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide
• SMILES: CC1(C)CC(=O)c2cc(C(=O)NCc3cccc(C(=O)N4CCCC4)c3)c(=O)[nH]c2C1
• InChI: InChI=1S/C24H27N3O4/c1-24(2)12-19-17(20(28)13-24)11-18(22(30)26-19)21(29)25-14-15-6-5-7-16(10-15)23(31)27-8-3-4-9-27/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3,(H,25,29)(H,26,30)
• InChIKey: RTYRCDBDOIERBZ-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 99.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 7,7-dimethyl-2,5-dioxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56565251) is 7,7-dimethyl-2,5-dioxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide.

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

The canonical SMILES for 7,7-dimethyl-2,5-dioxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide is CC1(C)CC(=O)c2cc(C(=O)NCc3cccc(C(=O)N4CCCC4)c3)c(=O)[nH]c2C1.

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

The InChIKey is RTYRCDBDOIERBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-24(2)12-19-17(20(28)13-24)11-18(22(30)26-19)21(29)25-14-15-6-5-7-16(10-15)23(31)27-8-3-4-9-27/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3,(H,25,29)(H,26,30).

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

7,7-dimethyl-2,5-dioxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7-dimethyl-2,5-dioxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56565251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).