N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methyl-5-[methyl-(1-methylazetidin-3-yl)amino]benzamide

C25H27FN4O — CID 177269146

IUPACN-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methyl-5-[methyl-(1-methylazetidin-3-yl)amino]benzamide
SMILESCc1ccc(N(C)C2CN(C)C2)cc1C(=O)NC1(c2ccc(F)c3ncccc23)CC1
InChIInChI=1S/C25H27FN4O/c1-16-6-7-17(30(3)18-14-29(2)15-18)13-20(16)24(31)28-25(10-11-25)21-8-9-22(26)23-19(21)5-4-12-27-23/h4-9,12-13,18H,10-11,14-15H2,1-3H3,(H,28,31)
InChIKeyFOSQLTXGPJVWEZ-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.85
Rot. Bonds5

About N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methyl-5-[methyl-(1-methylazetidin-3-yl)amino]benzamide

N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methyl-5-[methyl-(1-methylazetidin-3-yl)amino]benzamide (PubChem CID 177269146) has the molecular formula C25H27FN4O and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methyl-5-[methyl-(1-methylazetidin-3-yl)amino]benzamide.

Molecular Properties

Compound NameN-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methyl-5-[methyl-(1-methylazetidin-3-yl)amino]benzamide
PubChem CID177269146
Molecular FormulaC25H27FN4O
Molecular Weight418.52 g/mol
Exact Mass418.22
IUPAC NameN-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methyl-5-[methyl-(1-methylazetidin-3-yl)amino]benzamide
SMILESCc1ccc(N(C)C2CN(C)C2)cc1C(=O)NC1(c2ccc(F)c3ncccc23)CC1
InChIInChI=1S/C25H27FN4O/c1-16-6-7-17(30(3)18-14-29(2)15-18)13-20(16)24(31)28-25(10-11-25)21-8-9-22(26)23-19(21)5-4-12-27-23/h4-9,12-13,18H,10-11,14-15H2,1-3H3,(H,28,31)
InChIKeyFOSQLTXGPJVWEZ-UHFFFAOYSA-N
XLogP3.85
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methyl-5-[methyl-(1-propan-2-ylazetidin-3-yl)amino]benzamide
CID 177269026
5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methylbenzamide
CID 177268881
5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide
CID 177268956
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-8-ylcyclopropyl)benzamide
CID 177268971
N-[1-(8-chloroquinolin-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
CID 177269052
2-methyl-5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(1-quinolin-4-ylcyclopropyl)benzamide
CID 177269118
5-[3-(dihydroxyamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-4-ylcyclopropyl)benzamide
CID 177269144
2-methyl-N-(1-quinolin-4-ylcyclopropyl)-5-[3-(trifluoromethyl)azetidin-1-yl]benzamide
CID 177268952
N-[1-(4-chloronaphthalen-1-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
CID 177268795
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide
CID 177269126
N-[1-(4-fluoronaphthalen-1-yl)cyclopropyl]-2-methyl-5-(piperidin-4-ylamino)benzamide
CID 177268874
N-[5-[2-deuterio-3-(dimethylamino)azetidin-1-yl]-2-methylphenyl]-1-(8-fluoroquinolin-5-yl)cyclopropane-1-carboxamide
CID 177269071

Frequently Asked Questions

What is the IUPAC name of N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methyl-5-[methyl-(1-methylazetidin-3-yl)amino]benzamide?
The IUPAC name of N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methyl-5-[methyl-(1-methylazetidin-3-yl)amino]benzamide (CID 177269146) is N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methyl-5-[methyl-(1-methylazetidin-3-yl)amino]benzamide.
What is the SMILES notation for N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methyl-5-[methyl-(1-methylazetidin-3-yl)amino]benzamide?
The canonical SMILES for N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methyl-5-[methyl-(1-methylazetidin-3-yl)amino]benzamide is Cc1ccc(N(C)C2CN(C)C2)cc1C(=O)NC1(c2ccc(F)c3ncccc23)CC1.
What is the InChIKey of N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methyl-5-[methyl-(1-methylazetidin-3-yl)amino]benzamide?
The InChIKey is FOSQLTXGPJVWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O/c1-16-6-7-17(30(3)18-14-29(2)15-18)13-20(16)24(31)28-25(10-11-25)21-8-9-22(26)23-19(21)5-4-12-27-23/h4-9,12-13,18H,10-11,14-15H2,1-3H3,(H,28,31).
What are the key properties of N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methyl-5-[methyl-(1-methylazetidin-3-yl)amino]benzamide?
N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methyl-5-[methyl-(1-methylazetidin-3-yl)amino]benzamide has a molecular weight of 418.52 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methyl-5-[methyl-(1-methylazetidin-3-yl)amino]benzamide is sourced from PubChem (CID 177269146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).