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

C24H26N4O — CID 177268938

IUPAC2-methyl-5-[3-(methylamino)azetidin-1-yl]-N-(1-quinolin-4-ylcyclopropyl)benzamide
SMILESCNC1CN(c2ccc(C)c(C(=O)NC3(c4ccnc5ccccc45)CC3)c2)C1
InChIInChI=1S/C24H26N4O/c1-16-7-8-18(28-14-17(15-28)25-2)13-20(16)23(29)27-24(10-11-24)21-9-12-26-22-6-4-3-5-19(21)22/h3-9,12-13,17,25H,10-11,14-15H2,1-2H3,(H,27,29)
InChIKeyDOBFZOWBBQRYRD-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.37
Rot. Bonds5

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

2-methyl-5-[3-(methylamino)azetidin-1-yl]-N-(1-quinolin-4-ylcyclopropyl)benzamide (PubChem CID 177268938) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-methyl-5-[3-(methylamino)azetidin-1-yl]-N-(1-quinolin-4-ylcyclopropyl)benzamide.

Molecular Properties

Compound Name2-methyl-5-[3-(methylamino)azetidin-1-yl]-N-(1-quinolin-4-ylcyclopropyl)benzamide
PubChem CID177268938
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name2-methyl-5-[3-(methylamino)azetidin-1-yl]-N-(1-quinolin-4-ylcyclopropyl)benzamide
SMILESCNC1CN(c2ccc(C)c(C(=O)NC3(c4ccnc5ccccc45)CC3)c2)C1
InChIInChI=1S/C24H26N4O/c1-16-7-8-18(28-14-17(15-28)25-2)13-20(16)23(29)27-24(10-11-24)21-9-12-26-22-6-4-3-5-19(21)22/h3-9,12-13,17,25H,10-11,14-15H2,1-2H3,(H,27,29)
InChIKeyDOBFZOWBBQRYRD-UHFFFAOYSA-N
XLogP3.37
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(methylamino)azetidin-1-yl]-N-(1-quinolin-4-ylcyclopropyl)benzamide?
The IUPAC name of 2-methyl-5-[3-(methylamino)azetidin-1-yl]-N-(1-quinolin-4-ylcyclopropyl)benzamide (CID 177268938) is 2-methyl-5-[3-(methylamino)azetidin-1-yl]-N-(1-quinolin-4-ylcyclopropyl)benzamide.
What is the SMILES notation for 2-methyl-5-[3-(methylamino)azetidin-1-yl]-N-(1-quinolin-4-ylcyclopropyl)benzamide?
The canonical SMILES for 2-methyl-5-[3-(methylamino)azetidin-1-yl]-N-(1-quinolin-4-ylcyclopropyl)benzamide is CNC1CN(c2ccc(C)c(C(=O)NC3(c4ccnc5ccccc45)CC3)c2)C1.
What is the InChIKey of 2-methyl-5-[3-(methylamino)azetidin-1-yl]-N-(1-quinolin-4-ylcyclopropyl)benzamide?
The InChIKey is DOBFZOWBBQRYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-16-7-8-18(28-14-17(15-28)25-2)13-20(16)23(29)27-24(10-11-24)21-9-12-26-22-6-4-3-5-19(21)22/h3-9,12-13,17,25H,10-11,14-15H2,1-2H3,(H,27,29).
What are the key properties of 2-methyl-5-[3-(methylamino)azetidin-1-yl]-N-(1-quinolin-4-ylcyclopropyl)benzamide?
2-methyl-5-[3-(methylamino)azetidin-1-yl]-N-(1-quinolin-4-ylcyclopropyl)benzamide has a molecular weight of 386.50 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(methylamino)azetidin-1-yl]-N-(1-quinolin-4-ylcyclopropyl)benzamide is sourced from PubChem (CID 177268938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).