(2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine

C30H29F9N4O — CID 87196539

IUPAC(2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCC[C@@H]1C[C@H](Nc2ncc(N3CCOCC3)cc2Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C30H29F9N4O/c1-2-22-15-26(24-14-19(28(31,32)33)3-4-25(24)41-22)42-27-18(12-23(16-40-27)43-5-7-44-8-6-43)9-17-10-20(29(34,35)36)13-21(11-17)30(37,38)39/h3-4,10-14,16,22,26,41H,2,5-9,15H2,1H3,(H,40,42)/t22-,26+/m1/s1
InChIKeySLOHWUVLDJHBIU-GJZUVCINSA-N
MW632.57 g/mol
LogP8.31
Rot. Bonds6

About (2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine

(2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine (PubChem CID 87196539) has the molecular formula C30H29F9N4O and a molecular weight of 632.57 g/mol. Its IUPAC name is (2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine.

Molecular Properties

Compound Name(2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
PubChem CID87196539
Molecular FormulaC30H29F9N4O
Molecular Weight632.57 g/mol
Exact Mass632.22
IUPAC Name(2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCC[C@@H]1C[C@H](Nc2ncc(N3CCOCC3)cc2Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C30H29F9N4O/c1-2-22-15-26(24-14-19(28(31,32)33)3-4-25(24)41-22)42-27-18(12-23(16-40-27)43-5-7-44-8-6-43)9-17-10-20(29(34,35)36)13-21(11-17)30(37,38)39/h3-4,10-14,16,22,26,41H,2,5-9,15H2,1H3,(H,40,42)/t22-,26+/m1/s1
InChIKeySLOHWUVLDJHBIU-GJZUVCINSA-N
XLogP8.31
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.57
LogP ≤ 58.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine with MolForge

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Related Compounds

2-((2,6-dimethylmorpholino)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030066
N*1*-[7-(4-Morpholin-4-yl-phenyl)-[1,6]naphthyridin-5-yl]-propane-1,3-diamine
CID 9820420
4-(4-Benzylphenylamino)-6-(2-morpholinoethylamino)-1,7-naphthyridine-3-carbonitrile
CID 11496376
N2-(4-morpholinophenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 20826972
2-(3-morpholinopropyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030032
2-(morpholinomethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 22030144
2-(morpholinomethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030340
2-(ethoxymethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 23537081
2-(3-((2S,6R)-2,6-dimethylmorpholino)propyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 44587823
N-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
CID 59507725
N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
CID 59507892
US9969749, Example 2-32
CID 121266071

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The IUPAC name of (2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine (CID 87196539) is (2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine.
What is the SMILES notation for (2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The canonical SMILES for (2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine is CC[C@@H]1C[C@H](Nc2ncc(N3CCOCC3)cc2Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)ccc2N1.
What is the InChIKey of (2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The InChIKey is SLOHWUVLDJHBIU-GJZUVCINSA-N. The full InChI is InChI=1S/C30H29F9N4O/c1-2-22-15-26(24-14-19(28(31,32)33)3-4-25(24)41-22)42-27-18(12-23(16-40-27)43-5-7-44-8-6-43)9-17-10-20(29(34,35)36)13-21(11-17)30(37,38)39/h3-4,10-14,16,22,26,41H,2,5-9,15H2,1H3,(H,40,42)/t22-,26+/m1/s1.
What are the key properties of (2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine?
(2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine has a molecular weight of 632.57 g/mol, XLogP of 8.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine is sourced from PubChem (CID 87196539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).