(4R)-N-(4-fluorophenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide

C22H20FN3O2 — CID 6981097

About (4R)-N-(4-fluorophenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide

(4R)-N-(4-fluorophenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide (PubChem CID 6981097) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is (4R)-N-(4-fluorophenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: (4R)-N-(4-fluorophenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
• PubChem CID: 6981097
• Molecular Formula: C22H20FN3O2
• Molecular Weight: 377.42 g/mol
• Exact Mass: 377.15
• IUPAC Name: (4R)-N-(4-fluorophenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
• SMILES: CC1=NC2=C(C(=O)CCC2)[C@@H](c2ccncc2)C1C(=O)Nc1ccc(F)cc1
• InChI: InChI=1S/C22H20FN3O2/c1-13-19(22(28)26-16-7-5-15(23)6-8-16)20(14-9-11-24-12-10-14)21-17(25-13)3-2-4-18(21)27/h5-12,19-20H,2-4H2,1H3,(H,26,28)/t19?,20-/m0/s1
• InChIKey: IHDRKUVNQWVJRU-ANYOKISRSA-N
• XLogP: 4.04
• TPSA: 71.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.42
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(4-fluorophenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?

The IUPAC name of (4R)-N-(4-fluorophenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide (CID 6981097) is (4R)-N-(4-fluorophenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide.

What is the SMILES notation for (4R)-N-(4-fluorophenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?

The canonical SMILES for (4R)-N-(4-fluorophenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide is CC1=NC2=C(C(=O)CCC2)[C@@H](c2ccncc2)C1C(=O)Nc1ccc(F)cc1.

What is the InChIKey of (4R)-N-(4-fluorophenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?

The InChIKey is IHDRKUVNQWVJRU-ANYOKISRSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-13-19(22(28)26-16-7-5-15(23)6-8-16)20(14-9-11-24-12-10-14)21-17(25-13)3-2-4-18(21)27/h5-12,19-20H,2-4H2,1H3,(H,26,28)/t19?,20-/m0/s1.

What are the key properties of (4R)-N-(4-fluorophenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?

(4R)-N-(4-fluorophenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-N-(4-fluorophenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide is sourced from PubChem (CID 6981097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).