2,6-dimethoxy-N-[(1R,2R)-2-(quinolin-2-ylmethyl)cyclopentyl]benzamide

C24H26N2O3 — CID 125464627

IUPAC2,6-dimethoxy-N-[(1R,2R)-2-(quinolin-2-ylmethyl)cyclopentyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)N[C@@H]1CCC[C@@H]1Cc1ccc2ccccc2n1
InChIInChI=1S/C24H26N2O3/c1-28-21-11-6-12-22(29-2)23(21)24(27)26-20-10-5-8-17(20)15-18-14-13-16-7-3-4-9-19(16)25-18/h3-4,6-7,9,11-14,17,20H,5,8,10,15H2,1-2H3,(H,26,27)/t17-,20-/m1/s1
InChIKeyBEAWQNXRRFJSHK-YLJYHZDGSA-N
MW390.48 g/mol
LogP4.39
Rot. Bonds6

About 2,6-dimethoxy-N-[(1R,2R)-2-(quinolin-2-ylmethyl)cyclopentyl]benzamide

2,6-dimethoxy-N-[(1R,2R)-2-(quinolin-2-ylmethyl)cyclopentyl]benzamide (PubChem CID 125464627) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[(1R,2R)-2-(quinolin-2-ylmethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[(1R,2R)-2-(quinolin-2-ylmethyl)cyclopentyl]benzamide
PubChem CID125464627
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name2,6-dimethoxy-N-[(1R,2R)-2-(quinolin-2-ylmethyl)cyclopentyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)N[C@@H]1CCC[C@@H]1Cc1ccc2ccccc2n1
InChIInChI=1S/C24H26N2O3/c1-28-21-11-6-12-22(29-2)23(21)24(27)26-20-10-5-8-17(20)15-18-14-13-16-7-3-4-9-19(16)25-18/h3-4,6-7,9,11-14,17,20H,5,8,10,15H2,1-2H3,(H,26,27)/t17-,20-/m1/s1
InChIKeyBEAWQNXRRFJSHK-YLJYHZDGSA-N
XLogP4.39
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[(1R,2R)-2-(quinolin-2-ylmethyl)cyclopentyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[(1R,2R)-2-(quinolin-2-ylmethyl)cyclopentyl]benzamide (CID 125464627) is 2,6-dimethoxy-N-[(1R,2R)-2-(quinolin-2-ylmethyl)cyclopentyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[(1R,2R)-2-(quinolin-2-ylmethyl)cyclopentyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[(1R,2R)-2-(quinolin-2-ylmethyl)cyclopentyl]benzamide is COc1cccc(OC)c1C(=O)N[C@@H]1CCC[C@@H]1Cc1ccc2ccccc2n1.
What is the InChIKey of 2,6-dimethoxy-N-[(1R,2R)-2-(quinolin-2-ylmethyl)cyclopentyl]benzamide?
The InChIKey is BEAWQNXRRFJSHK-YLJYHZDGSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-28-21-11-6-12-22(29-2)23(21)24(27)26-20-10-5-8-17(20)15-18-14-13-16-7-3-4-9-19(16)25-18/h3-4,6-7,9,11-14,17,20H,5,8,10,15H2,1-2H3,(H,26,27)/t17-,20-/m1/s1.
What are the key properties of 2,6-dimethoxy-N-[(1R,2R)-2-(quinolin-2-ylmethyl)cyclopentyl]benzamide?
2,6-dimethoxy-N-[(1R,2R)-2-(quinolin-2-ylmethyl)cyclopentyl]benzamide has a molecular weight of 390.48 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[(1R,2R)-2-(quinolin-2-ylmethyl)cyclopentyl]benzamide is sourced from PubChem (CID 125464627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).