N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide

C26H22F3N5O2 — CID 87158055

IUPACN-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide
SMILESNc1nc2ccc(-c3cncc(NC(=O)C(F)(F)F)c3)cc2cc1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H22F3N5O2/c27-26(28,29)25(35)32-20-12-19(14-31-15-20)17-3-6-23-18(11-17)13-22(24(30)33-23)16-1-4-21(5-2-16)34-7-9-36-10-8-34/h1-6,11-15H,7-10H2,(H2,30,33)(H,32,35)
InChIKeyDSLVWUYEPNBTFA-UHFFFAOYSA-N
MW493.49 g/mol
LogP4.88
Rot. Bonds4

About N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide

N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide (PubChem CID 87158055) has the molecular formula C26H22F3N5O2 and a molecular weight of 493.49 g/mol. Its IUPAC name is N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide
PubChem CID87158055
Molecular FormulaC26H22F3N5O2
Molecular Weight493.49 g/mol
Exact Mass493.17
IUPAC NameN-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide
SMILESNc1nc2ccc(-c3cncc(NC(=O)C(F)(F)F)c3)cc2cc1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H22F3N5O2/c27-26(28,29)25(35)32-20-12-19(14-31-15-20)17-3-6-23-18(11-17)13-22(24(30)33-23)16-1-4-21(5-2-16)34-7-9-36-10-8-34/h1-6,11-15H,7-10H2,(H2,30,33)(H,32,35)
InChIKeyDSLVWUYEPNBTFA-UHFFFAOYSA-N
XLogP4.88
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.49
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide with MolForge

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Related Compounds

9-(6-Aminopyridin-3-yl)-1-(3-(trifluoromethyl)phenyl)benzo(h)(1,6)naphthyridin-2(1H)-one
CID 51358113
2-((2,6-dimethylmorpholino)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030066
9-(6-aminopyridin-3-yl)-1-(4-fluoro-3-(trifluoromethyl)phenyl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51350805
1-Pyrazin-2-yl-3-(6-trifluoromethyl-quinolin-4-yl)-urea
CID 24858859
N-(4-(3-(4-(4-Morpholinopyrido[3,2-d]pyrimidin-2-yl)phenyl)ureido)phenyl)acetamide
CID 137635885
1-[4-(4-Morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-phenylurea
CID 137653212
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)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030340
N-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
CID 59507725

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide (CID 87158055) is N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide is Nc1nc2ccc(-c3cncc(NC(=O)C(F)(F)F)c3)cc2cc1-c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide?
The InChIKey is DSLVWUYEPNBTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O2/c27-26(28,29)25(35)32-20-12-19(14-31-15-20)17-3-6-23-18(11-17)13-22(24(30)33-23)16-1-4-21(5-2-16)34-7-9-36-10-8-34/h1-6,11-15H,7-10H2,(H2,30,33)(H,32,35).
What are the key properties of N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide?
N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide has a molecular weight of 493.49 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 87158055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).