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

C27H24N2O3 — CID 167629765

IUPACN-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
SMILESCC(=O)c1cccc(CNC(=O)c2cccc(Oc3ccnc4cc(C)ccc34)c2C)c1
InChIInChI=1S/C27H24N2O3/c1-17-10-11-23-24(14-17)28-13-12-26(23)32-25-9-5-8-22(18(25)2)27(31)29-16-20-6-4-7-21(15-20)19(3)30/h4-15H,16H2,1-3H3,(H,29,31)
InChIKeyNPUVXNRIBXRLED-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.78
Rot. Bonds6

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

N-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide (PubChem CID 167629765) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
PubChem CID167629765
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC NameN-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
SMILESCC(=O)c1cccc(CNC(=O)c2cccc(Oc3ccnc4cc(C)ccc34)c2C)c1
InChIInChI=1S/C27H24N2O3/c1-17-10-11-23-24(14-17)28-13-12-26(23)32-25-9-5-8-22(18(25)2)27(31)29-16-20-6-4-7-21(15-20)19(3)30/h4-15H,16H2,1-3H3,(H,29,31)
InChIKeyNPUVXNRIBXRLED-UHFFFAOYSA-N
XLogP5.78
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167674859
ethane;3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 155779132
2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(3-morpholin-4-ylphenyl)methyl]benzamide
CID 167602082
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-fluoroquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155778961
3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155779221
N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167561863
N-[[2-(4-fluoropiperidine-1-carbonyl)-4-pyridinyl]methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167636843
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
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

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide?
The IUPAC name of N-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide (CID 167629765) is N-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide.
What is the SMILES notation for N-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide?
The canonical SMILES for N-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide is CC(=O)c1cccc(CNC(=O)c2cccc(Oc3ccnc4cc(C)ccc34)c2C)c1.
What is the InChIKey of N-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide?
The InChIKey is NPUVXNRIBXRLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-17-10-11-23-24(14-17)28-13-12-26(23)32-25-9-5-8-22(18(25)2)27(31)29-16-20-6-4-7-21(15-20)19(3)30/h4-15H,16H2,1-3H3,(H,29,31).
What are the key properties of N-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide?
N-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide has a molecular weight of 424.50 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide is sourced from PubChem (CID 167629765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).