3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide

C27H24N4O3 — CID 155779109

IUPAC3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
SMILESCOc1ccc2c(Oc3cccc(C(=O)NCc4ccc5c(c4)ncn5C)c3C)ccnc2c1
InChIInChI=1S/C27H24N4O3/c1-17-20(27(32)29-15-18-7-10-24-23(13-18)30-16-31(24)2)5-4-6-25(17)34-26-11-12-28-22-14-19(33-3)8-9-21(22)26/h4-14,16H,15H2,1-3H3,(H,29,32)
InChIKeyKULXNCMABNUUJE-UHFFFAOYSA-N
MW452.51 g/mol
LogP5.16
Rot. Bonds6

About 3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide

3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide (PubChem CID 155779109) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is 3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
PubChem CID155779109
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC Name3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
SMILESCOc1ccc2c(Oc3cccc(C(=O)NCc4ccc5c(c4)ncn5C)c3C)ccnc2c1
InChIInChI=1S/C27H24N4O3/c1-17-20(27(32)29-15-18-7-10-24-23(13-18)30-16-31(24)2)5-4-6-25(17)34-26-11-12-28-22-14-19(33-3)8-9-21(22)26/h4-14,16H,15H2,1-3H3,(H,29,32)
InChIKeyKULXNCMABNUUJE-UHFFFAOYSA-N
XLogP5.16
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
N-[(4-cyanophenyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide
CID 155778881
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
3-methoxy-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 110785783
2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide
CID 110785836
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
2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide
CID 155778979
3-[7-(dimethylamino)quinolin-4-yl]oxy-N-[(3-fluorophenyl)methyl]-2-methylbenzamide
CID 155778829
2-methyl-3-(7-pyrazin-2-ylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide
CID 155778804

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide?
The IUPAC name of 3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide (CID 155779109) is 3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide is COc1ccc2c(Oc3cccc(C(=O)NCc4ccc5c(c4)ncn5C)c3C)ccnc2c1.
What is the InChIKey of 3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide?
The InChIKey is KULXNCMABNUUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-17-20(27(32)29-15-18-7-10-24-23(13-18)30-16-31(24)2)5-4-6-25(17)34-26-11-12-28-22-14-19(33-3)8-9-21(22)26/h4-14,16H,15H2,1-3H3,(H,29,32).
What are the key properties of 3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide?
3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide has a molecular weight of 452.51 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide is sourced from PubChem (CID 155779109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).