3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide

C24H21N3O3 — CID 155779221

IUPAC3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccc2c(Oc3cccc(C(=O)NCc4ccncc4)c3C)ccnc2c1
InChIInChI=1S/C24H21N3O3/c1-16-19(24(28)27-15-17-8-11-25-12-9-17)4-3-5-22(16)30-23-10-13-26-21-14-18(29-2)6-7-20(21)23/h3-14H,15H2,1-2H3,(H,27,28)
InChIKeyCWOHQVITCQUGHV-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.67
Rot. Bonds6

About 3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide

3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 155779221) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
PubChem CID155779221
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccc2c(Oc3cccc(C(=O)NCc4ccncc4)c3C)ccnc2c1
InChIInChI=1S/C24H21N3O3/c1-16-19(24(28)27-15-17-8-11-25-12-9-17)4-3-5-22(16)30-23-10-13-26-21-14-18(29-2)6-7-20(21)23/h3-14H,15H2,1-2H3,(H,27,28)
InChIKeyCWOHQVITCQUGHV-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

ethane;3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 155779132
3-(7-fluoroquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155778961
N-[(4-cyanophenyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide
CID 155778881
3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 155779109
2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide
CID 155778979
N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167674859
2-methyl-3-(7-pyrazin-2-ylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide
CID 155778804
N-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167629765
3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridazin-4-ylmethyl)benzamide
CID 155779160
N-[(3,5-dimethyl-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167561865
N-[(3,5-dichloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167638002
N-[(3-fluoro-4-pyridinyl)methyl]-3-(7-iodoquinolin-4-yl)oxy-2-methylbenzamide
CID 166050617

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide (CID 155779221) is 3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide is COc1ccc2c(Oc3cccc(C(=O)NCc4ccncc4)c3C)ccnc2c1.
What is the InChIKey of 3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is CWOHQVITCQUGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-19(24(28)27-15-17-8-11-25-12-9-17)4-3-5-22(16)30-23-10-13-26-21-14-18(29-2)6-7-20(21)23/h3-14H,15H2,1-2H3,(H,27,28).
What are the key properties of 3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide?
3-(7-methoxyquinolin-4-yl)oxy-2-methyl-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-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 155779221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).