ethane;3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(3-methylphenyl)methyl]benzamide

C28H30N2O3 — CID 155779132

IUPACethane;3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCC.COc1ccc2c(Oc3cccc(C(=O)NCc4cccc(C)c4)c3C)ccnc2c1
InChIInChI=1S/C26H24N2O3.C2H6/c1-17-6-4-7-19(14-17)16-28-26(29)21-8-5-9-24(18(21)2)31-25-12-13-27-23-15-20(30-3)10-11-22(23)25;1-2/h4-15H,16H2,1-3H3,(H,28,29);1-2H3
InChIKeySHWSZUXBIDNUAE-UHFFFAOYSA-N
MW442.56 g/mol
LogP6.61
Rot. Bonds6

About ethane;3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(3-methylphenyl)methyl]benzamide

ethane;3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 155779132) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is ethane;3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Nameethane;3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(3-methylphenyl)methyl]benzamide
PubChem CID155779132
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC Nameethane;3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCC.COc1ccc2c(Oc3cccc(C(=O)NCc4cccc(C)c4)c3C)ccnc2c1
InChIInChI=1S/C26H24N2O3.C2H6/c1-17-6-4-7-19(14-17)16-28-26(29)21-8-5-9-24(18(21)2)31-25-12-13-27-23-15-20(30-3)10-11-22(23)25;1-2/h4-15H,16H2,1-3H3,(H,28,29);1-2H3
InChIKeySHWSZUXBIDNUAE-UHFFFAOYSA-N
XLogP6.61
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155779221
N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167674859
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
N-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167629765
3-(7-fluoroquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155778961
2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(3-morpholin-4-ylphenyl)methyl]benzamide
CID 167602082
3-[7-(dimethylamino)quinolin-4-yl]oxy-N-[(3-fluorophenyl)methyl]-2-methylbenzamide
CID 155778829
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
3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridazin-4-ylmethyl)benzamide
CID 155779160
N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167561863

Frequently Asked Questions

What is the IUPAC name of ethane;3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of ethane;3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(3-methylphenyl)methyl]benzamide (CID 155779132) is ethane;3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for ethane;3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for ethane;3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(3-methylphenyl)methyl]benzamide is CC.COc1ccc2c(Oc3cccc(C(=O)NCc4cccc(C)c4)c3C)ccnc2c1.
What is the InChIKey of ethane;3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is SHWSZUXBIDNUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3.C2H6/c1-17-6-4-7-19(14-17)16-28-26(29)21-8-5-9-24(18(21)2)31-25-12-13-27-23-15-20(30-3)10-11-22(23)25;1-2/h4-15H,16H2,1-3H3,(H,28,29);1-2H3.
What are the key properties of ethane;3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(3-methylphenyl)methyl]benzamide?
ethane;3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 442.56 g/mol, XLogP of 6.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 155779132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).