4-fluoro-N-[1-[5-[(4-methyl-3-pyridinyl)oxy]quinolin-2-yl]cyclopropyl]benzamide

C25H20FN3O2 — CID 146386166

IUPAC4-fluoro-N-[1-[5-[(4-methyl-3-pyridinyl)oxy]quinolin-2-yl]cyclopropyl]benzamide
SMILESCc1ccncc1Oc1cccc2nc(C3(NC(=O)c4ccc(F)cc4)CC3)ccc12
InChIInChI=1S/C25H20FN3O2/c1-16-11-14-27-15-22(16)31-21-4-2-3-20-19(21)9-10-23(28-20)25(12-13-25)29-24(30)17-5-7-18(26)8-6-17/h2-11,14-15H,12-13H2,1H3,(H,29,30)
InChIKeyBDQBWMWFJNRAFN-UHFFFAOYSA-N
MW413.45 g/mol
LogP5.29
Rot. Bonds5

About 4-fluoro-N-[1-[5-[(4-methyl-3-pyridinyl)oxy]quinolin-2-yl]cyclopropyl]benzamide

4-fluoro-N-[1-[5-[(4-methyl-3-pyridinyl)oxy]quinolin-2-yl]cyclopropyl]benzamide (PubChem CID 146386166) has the molecular formula C25H20FN3O2 and a molecular weight of 413.45 g/mol. Its IUPAC name is 4-fluoro-N-[1-[5-[(4-methyl-3-pyridinyl)oxy]quinolin-2-yl]cyclopropyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[5-[(4-methyl-3-pyridinyl)oxy]quinolin-2-yl]cyclopropyl]benzamide
PubChem CID146386166
Molecular FormulaC25H20FN3O2
Molecular Weight413.45 g/mol
Exact Mass413.15
IUPAC Name4-fluoro-N-[1-[5-[(4-methyl-3-pyridinyl)oxy]quinolin-2-yl]cyclopropyl]benzamide
SMILESCc1ccncc1Oc1cccc2nc(C3(NC(=O)c4ccc(F)cc4)CC3)ccc12
InChIInChI=1S/C25H20FN3O2/c1-16-11-14-27-15-22(16)31-21-4-2-3-20-19(21)9-10-23(28-20)25(12-13-25)29-24(30)17-5-7-18(26)8-6-17/h2-11,14-15H,12-13H2,1H3,(H,29,30)
InChIKeyBDQBWMWFJNRAFN-UHFFFAOYSA-N
XLogP5.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.45
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[1-[(5S)-5-(3-chlorophenoxy)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide
CID 146382109
N-[1-[(5R)-5-[2-(dimethylamino)pyrimidin-5-yl]oxy-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide
CID 146386081
N-[1-(4-fluorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110440290
2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 123186297
4-fluoro-N-[1-[(5R)-5-(2-methyl-4,5-dihydropyrimidin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]benzamide
CID 146386067
N-[1-[(1aR,7bS)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide;N-[1-[(1aS,7bR)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide
CID 163913786
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
N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylbenzamide
CID 113091009
N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441685
N-[1-(4-fluorophenyl)cyclobutyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 71885526

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[5-[(4-methyl-3-pyridinyl)oxy]quinolin-2-yl]cyclopropyl]benzamide?
The IUPAC name of 4-fluoro-N-[1-[5-[(4-methyl-3-pyridinyl)oxy]quinolin-2-yl]cyclopropyl]benzamide (CID 146386166) is 4-fluoro-N-[1-[5-[(4-methyl-3-pyridinyl)oxy]quinolin-2-yl]cyclopropyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[5-[(4-methyl-3-pyridinyl)oxy]quinolin-2-yl]cyclopropyl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-[5-[(4-methyl-3-pyridinyl)oxy]quinolin-2-yl]cyclopropyl]benzamide is Cc1ccncc1Oc1cccc2nc(C3(NC(=O)c4ccc(F)cc4)CC3)ccc12.
What is the InChIKey of 4-fluoro-N-[1-[5-[(4-methyl-3-pyridinyl)oxy]quinolin-2-yl]cyclopropyl]benzamide?
The InChIKey is BDQBWMWFJNRAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O2/c1-16-11-14-27-15-22(16)31-21-4-2-3-20-19(21)9-10-23(28-20)25(12-13-25)29-24(30)17-5-7-18(26)8-6-17/h2-11,14-15H,12-13H2,1H3,(H,29,30).
What are the key properties of 4-fluoro-N-[1-[5-[(4-methyl-3-pyridinyl)oxy]quinolin-2-yl]cyclopropyl]benzamide?
4-fluoro-N-[1-[5-[(4-methyl-3-pyridinyl)oxy]quinolin-2-yl]cyclopropyl]benzamide has a molecular weight of 413.45 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[5-[(4-methyl-3-pyridinyl)oxy]quinolin-2-yl]cyclopropyl]benzamide is sourced from PubChem (CID 146386166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).