N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]quinolin-6-yl]-2-oxo-1-pyridinyl]acetamide

C29H29F3N4O2 — CID 170555779

About N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]quinolin-6-yl]-2-oxo-1-pyridinyl]acetamide

N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]quinolin-6-yl]-2-oxo-1-pyridinyl]acetamide (PubChem CID 170555779) has the molecular formula C29H29F3N4O2 and a molecular weight of 522.57 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]quinolin-6-yl]-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]quinolin-6-yl]-2-oxo-1-pyridinyl]acetamide
• PubChem CID: 170555779
• Molecular Formula: C29H29F3N4O2
• Molecular Weight: 522.57 g/mol
• Exact Mass: 522.22
• IUPAC Name: N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]quinolin-6-yl]-2-oxo-1-pyridinyl]acetamide
• SMILES: Cc1cc(N[C@H](C)c2cccc(C(F)(F)F)c2C)c2cc(-c3ccn(CC(=O)N(C)C)c(=O)c3)ccc2n1
• InChI: InChI=1S/C29H29F3N4O2/c1-17-13-26(34-19(3)22-7-6-8-24(18(22)2)29(30,31)32)23-14-20(9-10-25(23)33-17)21-11-12-36(27(37)15-21)16-28(38)35(4)5/h6-15,19H,16H2,1-5H3,(H,33,34)/t19-/m1/s1
• InChIKey: YZIBGGIYDZUNDG-LJQANCHMSA-N
• XLogP: 5.96
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.57
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]quinolin-6-yl]-2-oxo-1-pyridinyl]acetamide?

The IUPAC name of N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]quinolin-6-yl]-2-oxo-1-pyridinyl]acetamide (CID 170555779) is N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]quinolin-6-yl]-2-oxo-1-pyridinyl]acetamide.

What is the SMILES notation for N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]quinolin-6-yl]-2-oxo-1-pyridinyl]acetamide?

The canonical SMILES for N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]quinolin-6-yl]-2-oxo-1-pyridinyl]acetamide is Cc1cc(N[C@H](C)c2cccc(C(F)(F)F)c2C)c2cc(-c3ccn(CC(=O)N(C)C)c(=O)c3)ccc2n1.

What is the InChIKey of N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]quinolin-6-yl]-2-oxo-1-pyridinyl]acetamide?

The InChIKey is YZIBGGIYDZUNDG-LJQANCHMSA-N. The full InChI is InChI=1S/C29H29F3N4O2/c1-17-13-26(34-19(3)22-7-6-8-24(18(22)2)29(30,31)32)23-14-20(9-10-25(23)33-17)21-11-12-36(27(37)15-21)16-28(38)35(4)5/h6-15,19H,16H2,1-5H3,(H,33,34)/t19-/m1/s1.

What are the key properties of N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]quinolin-6-yl]-2-oxo-1-pyridinyl]acetamide?

N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]quinolin-6-yl]-2-oxo-1-pyridinyl]acetamide has a molecular weight of 522.57 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]quinolin-6-yl]-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 170555779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).