3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide

C24H21N3O3 — CID 167695764

IUPAC3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1cc2c(Oc3cccc(C(=O)NCc4ccncc4)c3)ccnc2cc1C
InChIInChI=1S/C24H21N3O3/c1-16-12-21-20(14-23(16)29-2)22(8-11-26-21)30-19-5-3-4-18(13-19)24(28)27-15-17-6-9-25-10-7-17/h3-14H,15H2,1-2H3,(H,27,28)
InChIKeyXQDMROBUBPUKNX-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.67
Rot. Bonds6

About 3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide

3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 167695764) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide
PubChem CID167695764
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1cc2c(Oc3cccc(C(=O)NCc4ccncc4)c3)ccnc2cc1C
InChIInChI=1S/C24H21N3O3/c1-16-12-21-20(14-23(16)29-2)22(8-11-26-21)30-19-5-3-4-18(13-19)24(28)27-15-17-6-9-25-10-7-17/h3-14H,15H2,1-2H3,(H,27,28)
InChIKeyXQDMROBUBPUKNX-UHFFFAOYSA-N
XLogP4.67
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
4-fluoro-N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide
CID 167533681
N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-2-carboxamide
CID 67520391
3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-[(1R)-1-phenylethyl]benzamide
CID 167614869
4-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide
CID 167645967
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074
N-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide
CID 166050621
3-(8-aminoquinolin-4-yl)oxy-N-benzylbenzamide
CID 155779006
3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155779221
N-[2-(2-methoxyphenyl)ethyl]-3-quinolin-4-yloxybenzamide
CID 155779033
3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55912136
N-[2-(2-methylphenyl)ethyl]-3-quinolin-4-yloxybenzamide
CID 167571163

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide (CID 167695764) is 3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide is COc1cc2c(Oc3cccc(C(=O)NCc4ccncc4)c3)ccnc2cc1C.
What is the InChIKey of 3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is XQDMROBUBPUKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-12-21-20(14-23(16)29-2)22(8-11-26-21)30-19-5-3-4-18(13-19)24(28)27-15-17-6-9-25-10-7-17/h3-14H,15H2,1-2H3,(H,27,28).
What are the key properties of 3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide?
3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 399.45 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 167695764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).