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

IUPACN,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]quinolin-6-yl]-2-oxo-1-pyridinyl]acetamide
SMILESCc1cc(N[C@H](C)c2cccc(C(F)(F)F)c2C)c2cc(-c3ccn(CC(=O)N(C)C)c(=O)c3)ccc2n1
InChIInChI=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
InChIKeyYZIBGGIYDZUNDG-LJQANCHMSA-N
MW522.57 g/mol
LogP5.96
Rot. Bonds6

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 NameN,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 CID170555779
Molecular FormulaC29H29F3N4O2
Molecular Weight522.57 g/mol
Exact Mass522.22
IUPAC NameN,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]quinolin-6-yl]-2-oxo-1-pyridinyl]acetamide
SMILESCc1cc(N[C@H](C)c2cccc(C(F)(F)F)c2C)c2cc(-c3ccn(CC(=O)N(C)C)c(=O)c3)ccc2n1
InChIInChI=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
InChIKeyYZIBGGIYDZUNDG-LJQANCHMSA-N
XLogP5.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.57
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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).