N-[(4-cyanophenyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide

C26H21N3O3 — CID 155778881

IUPACN-[(4-cyanophenyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide
SMILESCOc1ccc2c(Oc3cccc(C(=O)NCc4ccc(C#N)cc4)c3C)ccnc2c1
InChIInChI=1S/C26H21N3O3/c1-17-21(26(30)29-16-19-8-6-18(15-27)7-9-19)4-3-5-24(17)32-25-12-13-28-23-14-20(31-2)10-11-22(23)25/h3-14H,16H2,1-2H3,(H,29,30)
InChIKeyQWLQSNZGNXCRPH-UHFFFAOYSA-N
MW423.47 g/mol
LogP5.15
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide

N-[(4-cyanophenyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide (PubChem CID 155778881) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide
PubChem CID155778881
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC NameN-[(4-cyanophenyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide
SMILESCOc1ccc2c(Oc3cccc(C(=O)NCc4ccc(C#N)cc4)c3C)ccnc2c1
InChIInChI=1S/C26H21N3O3/c1-17-21(26(30)29-16-19-8-6-18(15-27)7-9-19)4-3-5-24(17)32-25-12-13-28-23-14-20(31-2)10-11-22(23)25/h3-14H,16H2,1-2H3,(H,29,30)
InChIKeyQWLQSNZGNXCRPH-UHFFFAOYSA-N
XLogP5.15
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155779221
ethane;3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 155779132
3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 155779109
N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167674859
3-(7-fluoroquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155778961
2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide
CID 155778979
N-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167629765
N-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide
CID 166050621
3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridazin-4-ylmethyl)benzamide
CID 155779160
2-methyl-3-(7-pyrazin-2-ylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide
CID 155778804
N-[(3-acetylphenyl)methyl]-3-(7-chloroquinolin-4-yl)oxy-2-methylbenzamide;N-[(3-acetylphenyl)methyl]-3-(7-fluoroquinolin-4-yl)oxy-2-methylbenzamide;N-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;N-[(4-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;N-[(4-cyanophenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;N-[(2-methylphenyl)methyl]-3-quinolin-4-yloxybenzamide
CID 167667459
3-[7-(dimethylamino)quinolin-4-yl]oxy-N-[(3-fluorophenyl)methyl]-2-methylbenzamide
CID 155778829

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide (CID 155778881) is N-[(4-cyanophenyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide is COc1ccc2c(Oc3cccc(C(=O)NCc4ccc(C#N)cc4)c3C)ccnc2c1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide?
The InChIKey is QWLQSNZGNXCRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3/c1-17-21(26(30)29-16-19-8-6-18(15-27)7-9-19)4-3-5-24(17)32-25-12-13-28-23-14-20(31-2)10-11-22(23)25/h3-14H,16H2,1-2H3,(H,29,30).
What are the key properties of N-[(4-cyanophenyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide?
N-[(4-cyanophenyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide has a molecular weight of 423.47 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide is sourced from PubChem (CID 155778881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).