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

C26H28F2N4O2 — CID 71253221

IUPAC[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3,3-difluoropiperidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCCC(F)(F)C2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C26H28F2N4O2/c1-17-4-2-5-20(25(33)32-9-3-8-26(27,28)16-32)23(17)18-6-7-21-19(14-18)15-22(24(29)30-21)31-10-12-34-13-11-31/h2,4-7,14-15H,3,8-13,16H2,1H3,(H2,29,30)
InChIKeyBZVBJSUMOMJSKY-UHFFFAOYSA-N
MW466.53 g/mol
LogP4.50
Rot. Bonds3

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

[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3,3-difluoropiperidin-1-yl)methanone (PubChem CID 71253221) has the molecular formula C26H28F2N4O2 and a molecular weight of 466.53 g/mol. Its IUPAC name is [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3,3-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3,3-difluoropiperidin-1-yl)methanone
PubChem CID71253221
Molecular FormulaC26H28F2N4O2
Molecular Weight466.53 g/mol
Exact Mass466.22
IUPAC Name[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3,3-difluoropiperidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCCC(F)(F)C2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C26H28F2N4O2/c1-17-4-2-5-20(25(33)32-9-3-8-26(27,28)16-32)23(17)18-6-7-21-19(14-18)15-22(24(29)30-21)31-10-12-34-13-11-31/h2,4-7,14-15H,3,8-13,16H2,1H3,(H2,29,30)
InChIKeyBZVBJSUMOMJSKY-UHFFFAOYSA-N
XLogP4.50
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3,3-difluoropiperidin-1-yl)methanone with MolForge

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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]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 71253102
[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-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]-[4-(ethoxymethyl)piperidin-1-yl]methanone
CID 53330406
[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)-3-methylphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 71253254
2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N,3-dimethyl-N-(1-phenylethyl)benzamide
CID 67379227
6-[2-(benzenecarboximidoyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine
CID 86676838
[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

Frequently Asked Questions

What is the IUPAC name of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3,3-difluoropiperidin-1-yl)methanone?
The IUPAC name of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3,3-difluoropiperidin-1-yl)methanone (CID 71253221) is [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3,3-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3,3-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3,3-difluoropiperidin-1-yl)methanone is Cc1cccc(C(=O)N2CCCC(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]-(3,3-difluoropiperidin-1-yl)methanone?
The InChIKey is BZVBJSUMOMJSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O2/c1-17-4-2-5-20(25(33)32-9-3-8-26(27,28)16-32)23(17)18-6-7-21-19(14-18)15-22(24(29)30-21)31-10-12-34-13-11-31/h2,4-7,14-15H,3,8-13,16H2,1H3,(H2,29,30).
What are the key properties of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3,3-difluoropiperidin-1-yl)methanone?
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3,3-difluoropiperidin-1-yl)methanone has a molecular weight of 466.53 g/mol, XLogP of 4.50, 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]-(3,3-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 71253221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).