[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone

C26H27F3N4O2 — CID 71253102

IUPAC[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCC(C(F)(F)F)C2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C26H27F3N4O2/c1-16-3-2-4-20(25(34)33-8-7-19(15-33)26(27,28)29)23(16)17-5-6-21-18(13-17)14-22(24(30)31-21)32-9-11-35-12-10-32/h2-6,13-14,19H,7-12,15H2,1H3,(H2,30,31)
InChIKeyJPLYINUXJSBUBF-UHFFFAOYSA-N
MW484.52 g/mol
LogP4.65
Rot. Bonds3

About [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone

[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 71253102) has the molecular formula C26H27F3N4O2 and a molecular weight of 484.52 g/mol. Its IUPAC name is [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID71253102
Molecular FormulaC26H27F3N4O2
Molecular Weight484.52 g/mol
Exact Mass484.21
IUPAC Name[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCC(C(F)(F)F)C2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C26H27F3N4O2/c1-16-3-2-4-20(25(34)33-8-7-19(15-33)26(27,28)29)23(16)17-5-6-21-18(13-17)14-22(24(30)31-21)32-9-11-35-12-10-32/h2-6,13-14,19H,7-12,15H2,1H3,(H2,30,31)
InChIKeyJPLYINUXJSBUBF-UHFFFAOYSA-N
XLogP4.65
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
CID 71253357
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[4-(ethoxymethyl)piperidin-1-yl]methanone
CID 53330406
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
CID 67379487
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-(3,3-dimethylbutyl)phenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
CID 53329716
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-(3,3-dimethylbutyl)phenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone
CID 71253212
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3,3-difluoropiperidin-1-yl)methanone
CID 71253221
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methylphenyl)methanone
CID 71253386
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-chlorophenyl]-morpholin-4-ylmethanone
CID 53328460
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 71253254
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-pyrrolidin-1-ylmethanone
CID 53329177
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methyl-2-pyridinyl)methanone
CID 71253478
2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N,3-dimethyl-N-(1-phenylethyl)benzamide
CID 67379227

Frequently Asked Questions

What is the IUPAC name of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 71253102) is [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone is Cc1cccc(C(=O)N2CCC(C(F)(F)F)C2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1.
What is the InChIKey of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is JPLYINUXJSBUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O2/c1-16-3-2-4-20(25(34)33-8-7-19(15-33)26(27,28)29)23(16)17-5-6-21-18(13-17)14-22(24(30)31-21)32-9-11-35-12-10-32/h2-6,13-14,19H,7-12,15H2,1H3,(H2,30,31).
What are the key properties of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 484.52 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 71253102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).