N-(3,4-difluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

C18H16F2N2O3 — CID 66495488

About N-(3,4-difluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

N-(3,4-difluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 66495488) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-(3,4-difluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
• PubChem CID: 66495488
• Molecular Formula: C18H16F2N2O3
• Molecular Weight: 346.33 g/mol
• Exact Mass: 346.11
• IUPAC Name: N-(3,4-difluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
• SMILES: CC1(C)CC(=O)c2cc(C(=O)Nc3ccc(F)c(F)c3)c(=O)[nH]c2C1
• InChI: InChI=1S/C18H16F2N2O3/c1-18(2)7-14-10(15(23)8-18)6-11(17(25)22-14)16(24)21-9-3-4-12(19)13(20)5-9/h3-6H,7-8H2,1-2H3,(H,21,24)(H,22,25)
• InChIKey: ZTJYJOOKJWJWLD-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 79.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.33
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

The IUPAC name of N-(3,4-difluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 66495488) is N-(3,4-difluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

What is the SMILES notation for N-(3,4-difluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

The canonical SMILES for N-(3,4-difluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is CC1(C)CC(=O)c2cc(C(=O)Nc3ccc(F)c(F)c3)c(=O)[nH]c2C1.

What is the InChIKey of N-(3,4-difluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

The InChIKey is ZTJYJOOKJWJWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O3/c1-18(2)7-14-10(15(23)8-18)6-11(17(25)22-14)16(24)21-9-3-4-12(19)13(20)5-9/h3-6H,7-8H2,1-2H3,(H,21,24)(H,22,25).

What are the key properties of N-(3,4-difluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

N-(3,4-difluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 346.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-difluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 66495488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).