N-[1-[(5R)-5-[2-(dimethylamino)pyrimidin-5-yl]oxy-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide

C25H26FN5O2 — CID 146386081

IUPACN-[1-[(5R)-5-[2-(dimethylamino)pyrimidin-5-yl]oxy-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide
SMILESCN(C)c1ncc(O[C@@H]2CCCc3nc(C4(NC(=O)c5ccc(F)cc5)CC4)ccc32)cn1
InChIInChI=1S/C25H26FN5O2/c1-31(2)24-27-14-18(15-28-24)33-21-5-3-4-20-19(21)10-11-22(29-20)25(12-13-25)30-23(32)16-6-8-17(26)9-7-16/h6-11,14-15,21H,3-5,12-13H2,1-2H3,(H,30,32)/t21-/m1/s1
InChIKeyUMCXCEJVYSPEIY-OAQYLSRUSA-N
MW447.51 g/mol
LogP3.95
Rot. Bonds6

About N-[1-[(5R)-5-[2-(dimethylamino)pyrimidin-5-yl]oxy-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide

N-[1-[(5R)-5-[2-(dimethylamino)pyrimidin-5-yl]oxy-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide (PubChem CID 146386081) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[1-[(5R)-5-[2-(dimethylamino)pyrimidin-5-yl]oxy-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[(5R)-5-[2-(dimethylamino)pyrimidin-5-yl]oxy-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide
PubChem CID146386081
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC NameN-[1-[(5R)-5-[2-(dimethylamino)pyrimidin-5-yl]oxy-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide
SMILESCN(C)c1ncc(O[C@@H]2CCCc3nc(C4(NC(=O)c5ccc(F)cc5)CC4)ccc32)cn1
InChIInChI=1S/C25H26FN5O2/c1-31(2)24-27-14-18(15-28-24)33-21-5-3-4-20-19(21)10-11-22(29-20)25(12-13-25)30-23(32)16-6-8-17(26)9-7-16/h6-11,14-15,21H,3-5,12-13H2,1-2H3,(H,30,32)/t21-/m1/s1
InChIKeyUMCXCEJVYSPEIY-OAQYLSRUSA-N
XLogP3.95
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[(5R)-5-[2-(dimethylamino)pyrimidin-5-yl]oxy-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide with MolForge

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Related Compounds

N-[1-[(5S)-5-(3-chlorophenoxy)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide
CID 146382109
4-fluoro-N-[1-[(5R)-5-(2-methyl-4,5-dihydropyrimidin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]benzamide
CID 146386067
4-fluoro-N-[1-[5-[(1Z)-1-(propan-2-ylideneamino)buta-1,3-dienyl]-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]benzamide
CID 146386089
4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide
CID 142580242
ethane;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide
CID 142580241
2-(dimethylamino)-N-[1-(3-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide
CID 46963770
4-fluoro-N-[1-[5-[(4-methyl-3-pyridinyl)oxy]quinolin-2-yl]cyclopropyl]benzamide
CID 146386166
N-[1-(4-fluorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110440290
N-[3-[2-(dimethylamino)pyrimidin-5-yl]propyl]-4-fluorobenzamide
CID 132549675
N-ethyl-4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzamide
CID 97099967
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2,4,5-trimethylbenzamide
CID 72861433
6-cyclopentyloxy-N-[2-(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide
CID 122298052

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5R)-5-[2-(dimethylamino)pyrimidin-5-yl]oxy-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide?
The IUPAC name of N-[1-[(5R)-5-[2-(dimethylamino)pyrimidin-5-yl]oxy-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide (CID 146386081) is N-[1-[(5R)-5-[2-(dimethylamino)pyrimidin-5-yl]oxy-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[(5R)-5-[2-(dimethylamino)pyrimidin-5-yl]oxy-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[(5R)-5-[2-(dimethylamino)pyrimidin-5-yl]oxy-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide is CN(C)c1ncc(O[C@@H]2CCCc3nc(C4(NC(=O)c5ccc(F)cc5)CC4)ccc32)cn1.
What is the InChIKey of N-[1-[(5R)-5-[2-(dimethylamino)pyrimidin-5-yl]oxy-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide?
The InChIKey is UMCXCEJVYSPEIY-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H26FN5O2/c1-31(2)24-27-14-18(15-28-24)33-21-5-3-4-20-19(21)10-11-22(29-20)25(12-13-25)30-23(32)16-6-8-17(26)9-7-16/h6-11,14-15,21H,3-5,12-13H2,1-2H3,(H,30,32)/t21-/m1/s1.
What are the key properties of N-[1-[(5R)-5-[2-(dimethylamino)pyrimidin-5-yl]oxy-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide?
N-[1-[(5R)-5-[2-(dimethylamino)pyrimidin-5-yl]oxy-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide has a molecular weight of 447.51 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5R)-5-[2-(dimethylamino)pyrimidin-5-yl]oxy-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide is sourced from PubChem (CID 146386081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).