N-[(3,5-dichloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide

C24H19Cl2N3O2 — CID 167638002

IUPACN-[(3,5-dichloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
SMILESCc1ccc2c(Oc3cccc(C(=O)NCc4c(Cl)cncc4Cl)c3C)ccnc2c1
InChIInChI=1S/C24H19Cl2N3O2/c1-14-6-7-17-21(10-14)28-9-8-23(17)31-22-5-3-4-16(15(22)2)24(30)29-11-18-19(25)12-27-13-20(18)26/h3-10,12-13H,11H2,1-2H3,(H,29,30)
InChIKeyOTGDGWLMIJLASV-UHFFFAOYSA-N
MW452.34 g/mol
LogP6.28
Rot. Bonds5

About N-[(3,5-dichloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide

N-[(3,5-dichloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide (PubChem CID 167638002) has the molecular formula C24H19Cl2N3O2 and a molecular weight of 452.34 g/mol. Its IUPAC name is N-[(3,5-dichloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-[(3,5-dichloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
PubChem CID167638002
Molecular FormulaC24H19Cl2N3O2
Molecular Weight452.34 g/mol
Exact Mass451.09
IUPAC NameN-[(3,5-dichloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
SMILESCc1ccc2c(Oc3cccc(C(=O)NCc4c(Cl)cncc4Cl)c3C)ccnc2c1
InChIInChI=1S/C24H19Cl2N3O2/c1-14-6-7-17-21(10-14)28-9-8-23(17)31-22-5-3-4-16(15(22)2)24(30)29-11-18-19(25)12-27-13-20(18)26/h3-10,12-13H,11H2,1-2H3,(H,29,30)
InChIKeyOTGDGWLMIJLASV-UHFFFAOYSA-N
XLogP6.28
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.34
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167561865
N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167561863
N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167674859
N-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167629765
3-(7-aminoquinolin-4-yl)oxy-N-benzylbenzamide;N-benzyl-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;3-(7-chloroquinolin-4-yl)oxy-N-[(3,5-dichloro-4-pyridinyl)methyl]-2-methylbenzamide;bis(3-(7-chloroquinolin-4-yl)oxy-N-[(3,5-difluoro-4-pyridinyl)methyl]-2-methylbenzamide);N-[(3,5-dichloro-4-pyridinyl)methyl]-3-(7-fluoroquinolin-4-yl)oxy-2-methylbenzamide;N-[(3,5-dichloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167663486
3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridazin-4-ylmethyl)benzamide
CID 155779160
3-(7-fluoroquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155778961
ethane;3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 155779132
ethyl 2-methyl-3-(7-methylquinolin-4-yl)oxybenzoate
CID 167643901
3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155779221
2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide
CID 155778979
2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(3-morpholin-4-ylphenyl)methyl]benzamide
CID 167602082

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide?
The IUPAC name of N-[(3,5-dichloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide (CID 167638002) is N-[(3,5-dichloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide.
What is the SMILES notation for N-[(3,5-dichloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide?
The canonical SMILES for N-[(3,5-dichloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide is Cc1ccc2c(Oc3cccc(C(=O)NCc4c(Cl)cncc4Cl)c3C)ccnc2c1.
What is the InChIKey of N-[(3,5-dichloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide?
The InChIKey is OTGDGWLMIJLASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O2/c1-14-6-7-17-21(10-14)28-9-8-23(17)31-22-5-3-4-16(15(22)2)24(30)29-11-18-19(25)12-27-13-20(18)26/h3-10,12-13H,11H2,1-2H3,(H,29,30).
What are the key properties of N-[(3,5-dichloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide?
N-[(3,5-dichloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide has a molecular weight of 452.34 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide is sourced from PubChem (CID 167638002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).