4-(8-methoxyquinolin-5-yl)-2-piperidin-1-ylbenzamide

C22H23N3O2 — CID 69175133

IUPAC4-(8-methoxyquinolin-5-yl)-2-piperidin-1-ylbenzamide
SMILESCOc1ccc(-c2ccc(C(N)=O)c(N3CCCCC3)c2)c2cccnc12
InChIInChI=1S/C22H23N3O2/c1-27-20-10-9-16(17-6-5-11-24-21(17)20)15-7-8-18(22(23)26)19(14-15)25-12-3-2-4-13-25/h5-11,14H,2-4,12-13H2,1H3,(H2,23,26)
InChIKeyRLLZQIAXLVEDCZ-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.00
Rot. Bonds4

About 4-(8-methoxyquinolin-5-yl)-2-piperidin-1-ylbenzamide

4-(8-methoxyquinolin-5-yl)-2-piperidin-1-ylbenzamide (PubChem CID 69175133) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-(8-methoxyquinolin-5-yl)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name4-(8-methoxyquinolin-5-yl)-2-piperidin-1-ylbenzamide
PubChem CID69175133
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-(8-methoxyquinolin-5-yl)-2-piperidin-1-ylbenzamide
SMILESCOc1ccc(-c2ccc(C(N)=O)c(N3CCCCC3)c2)c2cccnc12
InChIInChI=1S/C22H23N3O2/c1-27-20-10-9-16(17-6-5-11-24-21(17)20)15-7-8-18(22(23)26)19(14-15)25-12-3-2-4-13-25/h5-11,14H,2-4,12-13H2,1H3,(H2,23,26)
InChIKeyRLLZQIAXLVEDCZ-UHFFFAOYSA-N
XLogP4.00
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(8-methoxyquinolin-5-yl)-2-piperidin-1-ylbenzamide?
The IUPAC name of 4-(8-methoxyquinolin-5-yl)-2-piperidin-1-ylbenzamide (CID 69175133) is 4-(8-methoxyquinolin-5-yl)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 4-(8-methoxyquinolin-5-yl)-2-piperidin-1-ylbenzamide?
The canonical SMILES for 4-(8-methoxyquinolin-5-yl)-2-piperidin-1-ylbenzamide is COc1ccc(-c2ccc(C(N)=O)c(N3CCCCC3)c2)c2cccnc12.
What is the InChIKey of 4-(8-methoxyquinolin-5-yl)-2-piperidin-1-ylbenzamide?
The InChIKey is RLLZQIAXLVEDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-27-20-10-9-16(17-6-5-11-24-21(17)20)15-7-8-18(22(23)26)19(14-15)25-12-3-2-4-13-25/h5-11,14H,2-4,12-13H2,1H3,(H2,23,26).
What are the key properties of 4-(8-methoxyquinolin-5-yl)-2-piperidin-1-ylbenzamide?
4-(8-methoxyquinolin-5-yl)-2-piperidin-1-ylbenzamide has a molecular weight of 361.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methoxyquinolin-5-yl)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 69175133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).