5-(azetidin-2-ylmethoxy)-N-[1-(7-ethylquinolin-5-yl)cyclopropyl]-2-methylbenzamide

C26H29N3O2 — CID 175878798

IUPAC5-(azetidin-2-ylmethoxy)-N-[1-(7-ethylquinolin-5-yl)cyclopropyl]-2-methylbenzamide
SMILESCCc1cc(C2(NC(=O)c3cc(OCC4CCN4)ccc3C)CC2)c2cccnc2c1
InChIInChI=1S/C26H29N3O2/c1-3-18-13-23(21-5-4-11-28-24(21)14-18)26(9-10-26)29-25(30)22-15-20(7-6-17(22)2)31-16-19-8-12-27-19/h4-7,11,13-15,19,27H,3,8-10,12,16H2,1-2H3,(H,29,30)
InChIKeyYIOXGMRCJSIUDM-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.27
Rot. Bonds7

About 5-(azetidin-2-ylmethoxy)-N-[1-(7-ethylquinolin-5-yl)cyclopropyl]-2-methylbenzamide

5-(azetidin-2-ylmethoxy)-N-[1-(7-ethylquinolin-5-yl)cyclopropyl]-2-methylbenzamide (PubChem CID 175878798) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 5-(azetidin-2-ylmethoxy)-N-[1-(7-ethylquinolin-5-yl)cyclopropyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(azetidin-2-ylmethoxy)-N-[1-(7-ethylquinolin-5-yl)cyclopropyl]-2-methylbenzamide
PubChem CID175878798
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name5-(azetidin-2-ylmethoxy)-N-[1-(7-ethylquinolin-5-yl)cyclopropyl]-2-methylbenzamide
SMILESCCc1cc(C2(NC(=O)c3cc(OCC4CCN4)ccc3C)CC2)c2cccnc2c1
InChIInChI=1S/C26H29N3O2/c1-3-18-13-23(21-5-4-11-28-24(21)14-18)26(9-10-26)29-25(30)22-15-20(7-6-17(22)2)31-16-19-8-12-27-19/h4-7,11,13-15,19,27H,3,8-10,12,16H2,1-2H3,(H,29,30)
InChIKeyYIOXGMRCJSIUDM-UHFFFAOYSA-N
XLogP4.27
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-2-ylmethoxy)-N-[1-(7-ethylquinolin-5-yl)cyclopropyl]-2-methylbenzamide?
The IUPAC name of 5-(azetidin-2-ylmethoxy)-N-[1-(7-ethylquinolin-5-yl)cyclopropyl]-2-methylbenzamide (CID 175878798) is 5-(azetidin-2-ylmethoxy)-N-[1-(7-ethylquinolin-5-yl)cyclopropyl]-2-methylbenzamide.
What is the SMILES notation for 5-(azetidin-2-ylmethoxy)-N-[1-(7-ethylquinolin-5-yl)cyclopropyl]-2-methylbenzamide?
The canonical SMILES for 5-(azetidin-2-ylmethoxy)-N-[1-(7-ethylquinolin-5-yl)cyclopropyl]-2-methylbenzamide is CCc1cc(C2(NC(=O)c3cc(OCC4CCN4)ccc3C)CC2)c2cccnc2c1.
What is the InChIKey of 5-(azetidin-2-ylmethoxy)-N-[1-(7-ethylquinolin-5-yl)cyclopropyl]-2-methylbenzamide?
The InChIKey is YIOXGMRCJSIUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-3-18-13-23(21-5-4-11-28-24(21)14-18)26(9-10-26)29-25(30)22-15-20(7-6-17(22)2)31-16-19-8-12-27-19/h4-7,11,13-15,19,27H,3,8-10,12,16H2,1-2H3,(H,29,30).
What are the key properties of 5-(azetidin-2-ylmethoxy)-N-[1-(7-ethylquinolin-5-yl)cyclopropyl]-2-methylbenzamide?
5-(azetidin-2-ylmethoxy)-N-[1-(7-ethylquinolin-5-yl)cyclopropyl]-2-methylbenzamide has a molecular weight of 415.54 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-2-ylmethoxy)-N-[1-(7-ethylquinolin-5-yl)cyclopropyl]-2-methylbenzamide is sourced from PubChem (CID 175878798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).