2-methyl-N-(1-quinolin-4-ylcyclopropyl)-5-[3-(trifluoromethyl)azetidin-1-yl]benzamide

C24H22F3N3O — CID 177268952

IUPAC2-methyl-N-(1-quinolin-4-ylcyclopropyl)-5-[3-(trifluoromethyl)azetidin-1-yl]benzamide
SMILESCc1ccc(N2CC(C(F)(F)F)C2)cc1C(=O)NC1(c2ccnc3ccccc23)CC1
InChIInChI=1S/C24H22F3N3O/c1-15-6-7-17(30-13-16(14-30)24(25,26)27)12-19(15)22(31)29-23(9-10-23)20-8-11-28-21-5-3-2-4-18(20)21/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,29,31)
InChIKeyORWCHYRHVANIGC-UHFFFAOYSA-N
MW425.45 g/mol
LogP4.96
Rot. Bonds4

About 2-methyl-N-(1-quinolin-4-ylcyclopropyl)-5-[3-(trifluoromethyl)azetidin-1-yl]benzamide

2-methyl-N-(1-quinolin-4-ylcyclopropyl)-5-[3-(trifluoromethyl)azetidin-1-yl]benzamide (PubChem CID 177268952) has the molecular formula C24H22F3N3O and a molecular weight of 425.45 g/mol. Its IUPAC name is 2-methyl-N-(1-quinolin-4-ylcyclopropyl)-5-[3-(trifluoromethyl)azetidin-1-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-(1-quinolin-4-ylcyclopropyl)-5-[3-(trifluoromethyl)azetidin-1-yl]benzamide
PubChem CID177268952
Molecular FormulaC24H22F3N3O
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC Name2-methyl-N-(1-quinolin-4-ylcyclopropyl)-5-[3-(trifluoromethyl)azetidin-1-yl]benzamide
SMILESCc1ccc(N2CC(C(F)(F)F)C2)cc1C(=O)NC1(c2ccnc3ccccc23)CC1
InChIInChI=1S/C24H22F3N3O/c1-15-6-7-17(30-13-16(14-30)24(25,26)27)12-19(15)22(31)29-23(9-10-23)20-8-11-28-21-5-3-2-4-18(20)21/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,29,31)
InChIKeyORWCHYRHVANIGC-UHFFFAOYSA-N
XLogP4.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-[3-(methylamino)azetidin-1-yl]-N-(1-quinolin-4-ylcyclopropyl)benzamide
CID 177268938
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-5-(4-methyl-1,4-diazepan-1-yl)-N-(1-quinolin-4-ylcyclopropyl)benzamide
CID 176905271
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(1,7-naphthyridin-4-yl)cyclopropyl]benzamide
CID 177268830
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(2-methyl-1-quinolin-4-ylcyclopropyl)benzamide
CID 177268980
N-[1-(8-chloroquinolin-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
CID 177269052
5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide
CID 177268956
5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
CID 174194684
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
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(4-methylsulfonylnaphthalen-1-yl)cyclopropyl]benzamide
CID 177269122

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-quinolin-4-ylcyclopropyl)-5-[3-(trifluoromethyl)azetidin-1-yl]benzamide?
The IUPAC name of 2-methyl-N-(1-quinolin-4-ylcyclopropyl)-5-[3-(trifluoromethyl)azetidin-1-yl]benzamide (CID 177268952) is 2-methyl-N-(1-quinolin-4-ylcyclopropyl)-5-[3-(trifluoromethyl)azetidin-1-yl]benzamide.
What is the SMILES notation for 2-methyl-N-(1-quinolin-4-ylcyclopropyl)-5-[3-(trifluoromethyl)azetidin-1-yl]benzamide?
The canonical SMILES for 2-methyl-N-(1-quinolin-4-ylcyclopropyl)-5-[3-(trifluoromethyl)azetidin-1-yl]benzamide is Cc1ccc(N2CC(C(F)(F)F)C2)cc1C(=O)NC1(c2ccnc3ccccc23)CC1.
What is the InChIKey of 2-methyl-N-(1-quinolin-4-ylcyclopropyl)-5-[3-(trifluoromethyl)azetidin-1-yl]benzamide?
The InChIKey is ORWCHYRHVANIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O/c1-15-6-7-17(30-13-16(14-30)24(25,26)27)12-19(15)22(31)29-23(9-10-23)20-8-11-28-21-5-3-2-4-18(20)21/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,29,31).
What are the key properties of 2-methyl-N-(1-quinolin-4-ylcyclopropyl)-5-[3-(trifluoromethyl)azetidin-1-yl]benzamide?
2-methyl-N-(1-quinolin-4-ylcyclopropyl)-5-[3-(trifluoromethyl)azetidin-1-yl]benzamide has a molecular weight of 425.45 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-quinolin-4-ylcyclopropyl)-5-[3-(trifluoromethyl)azetidin-1-yl]benzamide is sourced from PubChem (CID 177268952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).