N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-4-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C23H19ClF3N3O2 — CID 2900592

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-4-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-4-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 2900592) has the molecular formula C23H19ClF3N3O2 and a molecular weight of 461.87 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-4-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-4-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 2900592
• Molecular Formula: C23H19ClF3N3O2
• Molecular Weight: 461.87 g/mol
• Exact Mass: 461.11
• IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-4-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• SMILES: CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(c2ccccn2)C2=C(CCCC2=O)N1
• InChI: InChI=1S/C23H19ClF3N3O2/c1-12-19(22(32)30-17-11-13(23(25,26)27)8-9-14(17)24)21(15-5-2-3-10-28-15)20-16(29-12)6-4-7-18(20)31/h2-3,5,8-11,21,29H,4,6-7H2,1H3,(H,30,32)
• InChIKey: JPEWBCYBCRAITF-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.87
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-4-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-4-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 2900592) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-4-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-4-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-4-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(c2ccccn2)C2=C(CCCC2=O)N1.

What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-4-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The InChIKey is JPEWBCYBCRAITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N3O2/c1-12-19(22(32)30-17-11-13(23(25,26)27)8-9-14(17)24)21(15-5-2-3-10-28-15)20-16(29-12)6-4-7-18(20)31/h2-3,5,8-11,21,29H,4,6-7H2,1H3,(H,30,32).

What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-4-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-4-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 461.87 g/mol, XLogP of 5.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-4-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 2900592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).