N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(trifluoromethyl)benzamide

C28H30F3N3O4 — CID 26335024

IUPACN-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(trifluoromethyl)benzamide
SMILESCOc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccccc3C(F)(F)F)c(N3CCOCC3)nc2c1
InChIInChI=1S/C28H30F3N3O4/c1-36-21-9-8-19-15-20(26(32-25(19)16-21)33-10-13-37-14-11-33)17-34(18-22-5-4-12-38-22)27(35)23-6-2-3-7-24(23)28(29,30)31/h2-3,6-9,15-16,22H,4-5,10-14,17-18H2,1H3/t22-/m0/s1
InChIKeySADGLJJOHLWXON-QFIPXVFZSA-N
MW529.56 g/mol
LogP4.92
Rot. Bonds7

About N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(trifluoromethyl)benzamide

N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(trifluoromethyl)benzamide (PubChem CID 26335024) has the molecular formula C28H30F3N3O4 and a molecular weight of 529.56 g/mol. Its IUPAC name is N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(trifluoromethyl)benzamide
PubChem CID26335024
Molecular FormulaC28H30F3N3O4
Molecular Weight529.56 g/mol
Exact Mass529.22
IUPAC NameN-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(trifluoromethyl)benzamide
SMILESCOc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccccc3C(F)(F)F)c(N3CCOCC3)nc2c1
InChIInChI=1S/C28H30F3N3O4/c1-36-21-9-8-19-15-20(26(32-25(19)16-21)33-10-13-37-14-11-33)17-34(18-22-5-4-12-38-22)27(35)23-6-2-3-7-24(23)28(29,30)31/h2-3,6-9,15-16,22H,4-5,10-14,17-18H2,1H3/t22-/m0/s1
InChIKeySADGLJJOHLWXON-QFIPXVFZSA-N
XLogP4.92
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.56
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 45186810
2,4-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 45196925
3,5-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 26398686
3,5-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26398689
N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42429857
2-methoxy-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42166967
2-cyclopentyl-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42169642
3-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 42406671
N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]cyclopropanecarboxamide
CID 26349948
N-[[7-fluoro-2-(4-hydroxypiperidin-1-yl)quinolin-3-yl]methyl]-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45175981
2-fluoro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 3194117
N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 45251568

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(trifluoromethyl)benzamide (CID 26335024) is N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(trifluoromethyl)benzamide is COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccccc3C(F)(F)F)c(N3CCOCC3)nc2c1.
What is the InChIKey of N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is SADGLJJOHLWXON-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H30F3N3O4/c1-36-21-9-8-19-15-20(26(32-25(19)16-21)33-10-13-37-14-11-33)17-34(18-22-5-4-12-38-22)27(35)23-6-2-3-7-24(23)28(29,30)31/h2-3,6-9,15-16,22H,4-5,10-14,17-18H2,1H3/t22-/m0/s1.
What are the key properties of N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(trifluoromethyl)benzamide?
N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 529.56 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 26335024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).