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

C26H30N4O — CID 177268980

IUPAC5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(2-methyl-1-quinolin-4-ylcyclopropyl)benzamide
SMILESCc1ccc(N2CC(N(C)C)C2)cc1C(=O)NC1(c2ccnc3ccccc23)CC1C
InChIInChI=1S/C26H30N4O/c1-17-9-10-19(30-15-20(16-30)29(3)4)13-22(17)25(31)28-26(14-18(26)2)23-11-12-27-24-8-6-5-7-21(23)24/h5-13,18,20H,14-16H2,1-4H3,(H,28,31)
InChIKeyPHTVOSFGPPKNCN-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.96
Rot. Bonds5

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

5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(2-methyl-1-quinolin-4-ylcyclopropyl)benzamide (PubChem CID 177268980) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(2-methyl-1-quinolin-4-ylcyclopropyl)benzamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(2-methyl-1-quinolin-4-ylcyclopropyl)benzamide
PubChem CID177268980
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(2-methyl-1-quinolin-4-ylcyclopropyl)benzamide
SMILESCc1ccc(N2CC(N(C)C)C2)cc1C(=O)NC1(c2ccnc3ccccc23)CC1C
InChIInChI=1S/C26H30N4O/c1-17-9-10-19(30-15-20(16-30)29(3)4)13-22(17)25(31)28-26(14-18(26)2)23-11-12-27-24-8-6-5-7-21(23)24/h5-13,18,20H,14-16H2,1-4H3,(H,28,31)
InChIKeyPHTVOSFGPPKNCN-UHFFFAOYSA-N
XLogP3.96
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(2-methyl-1-quinolin-4-ylcyclopropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(dihydroxyamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-4-ylcyclopropyl)benzamide
CID 177269144
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(1,7-naphthyridin-4-yl)cyclopropyl]benzamide
CID 177268830
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
N-[1-(8-chloroquinolin-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
CID 177269052
2-methyl-N-(1-quinolin-4-ylcyclopropyl)-5-[3-(trifluoromethyl)azetidin-1-yl]benzamide
CID 177268952
5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide
CID 177268956
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-quinolin-8-ylcyclopropyl)benzamide
CID 177268971
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-(4-methylsulfonylnaphthalen-1-yl)cyclopropyl]benzamide
CID 177269122

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(2-methyl-1-quinolin-4-ylcyclopropyl)benzamide?
The IUPAC name of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(2-methyl-1-quinolin-4-ylcyclopropyl)benzamide (CID 177268980) is 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(2-methyl-1-quinolin-4-ylcyclopropyl)benzamide.
What is the SMILES notation for 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(2-methyl-1-quinolin-4-ylcyclopropyl)benzamide?
The canonical SMILES for 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(2-methyl-1-quinolin-4-ylcyclopropyl)benzamide is Cc1ccc(N2CC(N(C)C)C2)cc1C(=O)NC1(c2ccnc3ccccc23)CC1C.
What is the InChIKey of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(2-methyl-1-quinolin-4-ylcyclopropyl)benzamide?
The InChIKey is PHTVOSFGPPKNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c1-17-9-10-19(30-15-20(16-30)29(3)4)13-22(17)25(31)28-26(14-18(26)2)23-11-12-27-24-8-6-5-7-21(23)24/h5-13,18,20H,14-16H2,1-4H3,(H,28,31).
What are the key properties of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(2-methyl-1-quinolin-4-ylcyclopropyl)benzamide?
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(2-methyl-1-quinolin-4-ylcyclopropyl)benzamide has a molecular weight of 414.55 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(2-methyl-1-quinolin-4-ylcyclopropyl)benzamide is sourced from PubChem (CID 177268980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).