N-[1-(8-chloroquinolin-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide

C25H27ClN4O — CID 177269052

IUPACN-[1-(8-chloroquinolin-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
SMILESCc1ccc(N2CC(N(C)C)C2)cc1C(=O)NC1(c2ccnc3c(Cl)cccc23)CC1
InChIInChI=1S/C25H27ClN4O/c1-16-7-8-17(30-14-18(15-30)29(2)3)13-20(16)24(31)28-25(10-11-25)21-9-12-27-23-19(21)5-4-6-22(23)26/h4-9,12-13,18H,10-11,14-15H2,1-3H3,(H,28,31)
InChIKeyCBQZZMAWHBFNSD-UHFFFAOYSA-N
MW434.97 g/mol
LogP4.37
Rot. Bonds5

About N-[1-(8-chloroquinolin-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide

N-[1-(8-chloroquinolin-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide (PubChem CID 177269052) has the molecular formula C25H27ClN4O and a molecular weight of 434.97 g/mol. Its IUPAC name is N-[1-(8-chloroquinolin-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(8-chloroquinolin-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
PubChem CID177269052
Molecular FormulaC25H27ClN4O
Molecular Weight434.97 g/mol
Exact Mass434.19
IUPAC NameN-[1-(8-chloroquinolin-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
SMILESCc1ccc(N2CC(N(C)C)C2)cc1C(=O)NC1(c2ccnc3c(Cl)cccc23)CC1
InChIInChI=1S/C25H27ClN4O/c1-16-7-8-17(30-14-18(15-30)29(2)3)13-20(16)24(31)28-25(10-11-25)21-9-12-27-23-19(21)5-4-6-22(23)26/h4-9,12-13,18H,10-11,14-15H2,1-3H3,(H,28,31)
InChIKeyCBQZZMAWHBFNSD-UHFFFAOYSA-N
XLogP4.37
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.97
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-quinolin-8-ylcyclopropyl)benzamide
CID 177268971
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-(1,7-naphthyridin-4-yl)cyclopropyl]benzamide
CID 177268830
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[5-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide
CID 177269051
5-[3-(dihydroxyamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-4-ylcyclopropyl)benzamide
CID 177269144
N-[1-(4-chloro-1-benzofuran-7-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
CID 177268899
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
2-methyl-5-[3-(methylamino)azetidin-1-yl]-N-(1-quinolin-4-ylcyclopropyl)benzamide
CID 177268938
N-[1-(1,3-benzodioxol-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
CID 177268833
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(2-methyl-1-quinolin-4-ylcyclopropyl)benzamide
CID 177268980

Frequently Asked Questions

What is the IUPAC name of N-[1-(8-chloroquinolin-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide?
The IUPAC name of N-[1-(8-chloroquinolin-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide (CID 177269052) is N-[1-(8-chloroquinolin-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(8-chloroquinolin-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-(8-chloroquinolin-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide is Cc1ccc(N2CC(N(C)C)C2)cc1C(=O)NC1(c2ccnc3c(Cl)cccc23)CC1.
What is the InChIKey of N-[1-(8-chloroquinolin-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide?
The InChIKey is CBQZZMAWHBFNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O/c1-16-7-8-17(30-14-18(15-30)29(2)3)13-20(16)24(31)28-25(10-11-25)21-9-12-27-23-19(21)5-4-6-22(23)26/h4-9,12-13,18H,10-11,14-15H2,1-3H3,(H,28,31).
What are the key properties of N-[1-(8-chloroquinolin-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide?
N-[1-(8-chloroquinolin-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide has a molecular weight of 434.97 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(8-chloroquinolin-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide is sourced from PubChem (CID 177269052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).