8-methyl-5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)quinoline;2,2,2-trifluoroacetic acid

C20H20F3N3O2 — CID 154887334

IUPAC8-methyl-5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)quinoline;2,2,2-trifluoroacetic acid
SMILESCc1cc(-c2ccc(C)c3ncccc23)nc(C(C)C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H19N3.C2HF3O2/c1-11(2)18-20-13(4)10-16(21-18)14-8-7-12(3)17-15(14)6-5-9-19-17;3-2(4,5)1(6)7/h5-11H,1-4H3;(H,6,7)
InChIKeyPOWIQDMRDPVCRN-UHFFFAOYSA-N
MW391.39 g/mol
LogP5.07
Rot. Bonds2

About 8-methyl-5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)quinoline;2,2,2-trifluoroacetic acid

8-methyl-5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)quinoline;2,2,2-trifluoroacetic acid (PubChem CID 154887334) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 8-methyl-5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)quinoline;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-methyl-5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)quinoline;2,2,2-trifluoroacetic acid
PubChem CID154887334
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name8-methyl-5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)quinoline;2,2,2-trifluoroacetic acid
SMILESCc1cc(-c2ccc(C)c3ncccc23)nc(C(C)C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H19N3.C2HF3O2/c1-11(2)18-20-13(4)10-16(21-18)14-8-7-12(3)17-15(14)6-5-9-19-17;3-2(4,5)1(6)7/h5-11H,1-4H3;(H,6,7)
InChIKeyPOWIQDMRDPVCRN-UHFFFAOYSA-N
XLogP5.07
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.39
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-1-(8-methylquinolin-5-yl)ethanone
CID 137346972
2,2,2-trifluoro-1-[2-propan-2-yl-4-(trifluoromethyl)pyrido[3,2-h]quinazolin-6-yl]ethanone
CID 100951470
2-methylpyridine;2,2,2-trifluoroacetic acid
CID 22066303
6-methyl-2-(8-methylquinolin-5-yl)pyridine-3-carboxamide
CID 119061492
2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide
CID 47033502
4-methyl-6-quinolin-6-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 171687141
3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid
CID 116894218
8-(6-chloro-2-propan-2-ylpyrimidin-4-yl)quinoline
CID 81222122
N-(6-chloro-8-methylquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide
CID 103737695
N-(8-methylquinolin-5-yl)-2-propan-2-yloxyacetamide
CID 47418219
sodium 8-methylquinoline-5-sulfinate
CID 131206399
3-[6-(8-methylquinolin-5-yl)-3-pyridinyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 71594255

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)quinoline;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-methyl-5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)quinoline;2,2,2-trifluoroacetic acid (CID 154887334) is 8-methyl-5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)quinoline;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-methyl-5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)quinoline;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-methyl-5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)quinoline;2,2,2-trifluoroacetic acid is Cc1cc(-c2ccc(C)c3ncccc23)nc(C(C)C)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 8-methyl-5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)quinoline;2,2,2-trifluoroacetic acid?
The InChIKey is POWIQDMRDPVCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3.C2HF3O2/c1-11(2)18-20-13(4)10-16(21-18)14-8-7-12(3)17-15(14)6-5-9-19-17;3-2(4,5)1(6)7/h5-11H,1-4H3;(H,6,7).
What are the key properties of 8-methyl-5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)quinoline;2,2,2-trifluoroacetic acid?
8-methyl-5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)quinoline;2,2,2-trifluoroacetic acid has a molecular weight of 391.39 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)quinoline;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154887334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).