2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N-(4-fluorophenyl)-N,3-dimethylbenzamide

C28H27FN4O2 — CID 53328264

IUPAC2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N-(4-fluorophenyl)-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)c2ccc(F)cc2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C28H27FN4O2/c1-18-4-3-5-23(28(34)32(2)22-9-7-21(29)8-10-22)26(18)19-6-11-24-20(16-19)17-25(27(30)31-24)33-12-14-35-15-13-33/h3-11,16-17H,12-15H2,1-2H3,(H2,30,31)
InChIKeyJDDYJJHWJRGDGM-UHFFFAOYSA-N
MW470.55 g/mol
LogP5.04
Rot. Bonds4

About 2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N-(4-fluorophenyl)-N,3-dimethylbenzamide

2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N-(4-fluorophenyl)-N,3-dimethylbenzamide (PubChem CID 53328264) has the molecular formula C28H27FN4O2 and a molecular weight of 470.55 g/mol. Its IUPAC name is 2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N-(4-fluorophenyl)-N,3-dimethylbenzamide.

Molecular Properties

Compound Name2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N-(4-fluorophenyl)-N,3-dimethylbenzamide
PubChem CID53328264
Molecular FormulaC28H27FN4O2
Molecular Weight470.55 g/mol
Exact Mass470.21
IUPAC Name2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N-(4-fluorophenyl)-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)c2ccc(F)cc2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C28H27FN4O2/c1-18-4-3-5-23(28(34)32(2)22-9-7-21(29)8-10-22)26(18)19-6-11-24-20(16-19)17-25(27(30)31-24)33-12-14-35-15-13-33/h3-11,16-17H,12-15H2,1-2H3,(H2,30,31)
InChIKeyJDDYJJHWJRGDGM-UHFFFAOYSA-N
XLogP5.04
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.55
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N-(4-fluorophenyl)-N,3-dimethylbenzamide?
The IUPAC name of 2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N-(4-fluorophenyl)-N,3-dimethylbenzamide (CID 53328264) is 2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N-(4-fluorophenyl)-N,3-dimethylbenzamide.
What is the SMILES notation for 2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N-(4-fluorophenyl)-N,3-dimethylbenzamide?
The canonical SMILES for 2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N-(4-fluorophenyl)-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)c2ccc(F)cc2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1.
What is the InChIKey of 2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N-(4-fluorophenyl)-N,3-dimethylbenzamide?
The InChIKey is JDDYJJHWJRGDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O2/c1-18-4-3-5-23(28(34)32(2)22-9-7-21(29)8-10-22)26(18)19-6-11-24-20(16-19)17-25(27(30)31-24)33-12-14-35-15-13-33/h3-11,16-17H,12-15H2,1-2H3,(H2,30,31).
What are the key properties of 2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N-(4-fluorophenyl)-N,3-dimethylbenzamide?
2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N-(4-fluorophenyl)-N,3-dimethylbenzamide has a molecular weight of 470.55 g/mol, XLogP of 5.04, 4 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)-N-(4-fluorophenyl)-N,3-dimethylbenzamide is sourced from PubChem (CID 53328264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).