N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide

C25H23N3O3 — CID 167674859

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
SMILESCOc1cc(CNC(=O)c2cccc(Oc3ccnc4cc(C)ccc34)c2C)ccn1
InChIInChI=1S/C25H23N3O3/c1-16-7-8-20-21(13-16)26-12-10-23(20)31-22-6-4-5-19(17(22)2)25(29)28-15-18-9-11-27-24(14-18)30-3/h4-14H,15H2,1-3H3,(H,28,29)
InChIKeyUQUBYROBBVZOSK-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.98
Rot. Bonds6

About N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide

N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide (PubChem CID 167674859) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
PubChem CID167674859
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
SMILESCOc1cc(CNC(=O)c2cccc(Oc3ccnc4cc(C)ccc34)c2C)ccn1
InChIInChI=1S/C25H23N3O3/c1-16-7-8-20-21(13-16)26-12-10-23(20)31-22-6-4-5-19(17(22)2)25(29)28-15-18-9-11-27-24(14-18)30-3/h4-14H,15H2,1-3H3,(H,28,29)
InChIKeyUQUBYROBBVZOSK-UHFFFAOYSA-N
XLogP4.98
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167629765
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-(pyridin-4-ylmethyl)benzamide
CID 155779221
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-methoxyquinolin-4-yl)oxy-2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 155779109
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
N-[[2-(4-fluoropiperidine-1-carbonyl)-4-pyridinyl]methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167636843
N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167561863
3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridazin-4-ylmethyl)benzamide
CID 155779160
N-[(4-cyanophenyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide
CID 155778881

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide (CID 167674859) is N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide is COc1cc(CNC(=O)c2cccc(Oc3ccnc4cc(C)ccc34)c2C)ccn1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide?
The InChIKey is UQUBYROBBVZOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-16-7-8-20-21(13-16)26-12-10-23(20)31-22-6-4-5-19(17(22)2)25(29)28-15-18-9-11-27-24(14-18)30-3/h4-14H,15H2,1-3H3,(H,28,29).
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide?
N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide has a molecular weight of 413.48 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide is sourced from PubChem (CID 167674859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).