3,4-dimethoxy-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamide

C24H27N3O3 — CID 12005317

IUPAC3,4-dimethoxy-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)cc1OC
InChIInChI=1S/C24H27N3O3/c1-16-13-23(27-11-5-4-6-12-27)26-20-9-8-18(15-19(16)20)25-24(28)17-7-10-21(29-2)22(14-17)30-3/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,25,28)
InChIKeyBWDAURZJDFZQQM-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.80
Rot. Bonds5

About 3,4-dimethoxy-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamide

3,4-dimethoxy-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamide (PubChem CID 12005317) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamide
PubChem CID12005317
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name3,4-dimethoxy-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)cc1OC
InChIInChI=1S/C24H27N3O3/c1-16-13-23(27-11-5-4-6-12-27)26-20-9-8-18(15-19(16)20)25-24(28)17-7-10-21(29-2)22(14-17)30-3/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,25,28)
InChIKeyBWDAURZJDFZQQM-UHFFFAOYSA-N
XLogP4.80
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamide (CID 12005317) is 3,4-dimethoxy-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamide is COc1ccc(C(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamide?
The InChIKey is BWDAURZJDFZQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16-13-23(27-11-5-4-6-12-27)26-20-9-8-18(15-19(16)20)25-24(28)17-7-10-21(29-2)22(14-17)30-3/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,25,28).
What are the key properties of 3,4-dimethoxy-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamide?
3,4-dimethoxy-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamide has a molecular weight of 405.50 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamide is sourced from PubChem (CID 12005317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).