5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine

C31H24F5N5O — CID 56597405

IUPAC5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C31H24F5N5O/c1-18-29(24-7-2-3-8-37-24)40-26-15-21(32)14-23(33)28(26)30(18)39-25-16-27(41-9-11-42-12-10-41)38-17-22(25)19-5-4-6-20(13-19)31(34,35)36/h2-8,13-17H,9-12H2,1H3,(H,38,39,40)
InChIKeyRGOKUCMOMWRIAY-UHFFFAOYSA-N
MW577.56 g/mol
LogP7.54
Rot. Bonds5

About 5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine

5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine (PubChem CID 56597405) has the molecular formula C31H24F5N5O and a molecular weight of 577.56 g/mol. Its IUPAC name is 5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine
PubChem CID56597405
Molecular FormulaC31H24F5N5O
Molecular Weight577.56 g/mol
Exact Mass577.19
IUPAC Name5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C31H24F5N5O/c1-18-29(24-7-2-3-8-37-24)40-26-15-21(32)14-23(33)28(26)30(18)39-25-16-27(41-9-11-42-12-10-41)38-17-22(25)19-5-4-6-20(13-19)31(34,35)36/h2-8,13-17H,9-12H2,1H3,(H,38,39,40)
InChIKeyRGOKUCMOMWRIAY-UHFFFAOYSA-N
XLogP7.54
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.56
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
6-Methyl-N5-(3-(pyrimidin-4-yl)pyridin-2-yl)-N1-(3-(trifluoromethyl)phenyl)isoquinoline-1,5-diamine
CID 16214904
N-(4-{[(2-Methoxyethyl)amino]methyl}phenyl)-6-(Pyridin-4-Yl)quinazolin-2-Amine
CID 70702306
2-(ethoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 9983112
2-(methoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 10367774
2-(isopropoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030052
2-((2,6-dimethylmorpholino)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030066
2-(isopropoxymethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 22030187
2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 44587857
4-(1-Piperazin-1-yl[2,6]naphthyridin-3-yl)pyridin-2-yl](tetrahydropyran-4-yl)amine
CID 46899901
{4-[1-(4-Isobutylpiperazin-1-yl)[2,6]naphthyridin-3-yl]pyridin-2-yl}(tetrahydropyran-4-yl)amine
CID 46899902
4-amino-6-[[(1S)-1-[6-fluoro-4-(2-methoxyethylamino)-3-phenylquinolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 49872835

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of 5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine (CID 56597405) is 5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for 5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is RGOKUCMOMWRIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F5N5O/c1-18-29(24-7-2-3-8-37-24)40-26-15-21(32)14-23(33)28(26)30(18)39-25-16-27(41-9-11-42-12-10-41)38-17-22(25)19-5-4-6-20(13-19)31(34,35)36/h2-8,13-17H,9-12H2,1H3,(H,38,39,40).
What are the key properties of 5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine?
5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 577.56 g/mol, XLogP of 7.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 56597405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).