3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridazin-4-ylmethyl)benzamide

C22H17ClN4O2 — CID 155779160

IUPAC3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridazin-4-ylmethyl)benzamide
SMILESCc1c(Oc2ccnc3cc(Cl)ccc23)cccc1C(=O)NCc1ccnnc1
InChIInChI=1S/C22H17ClN4O2/c1-14-17(22(28)25-12-15-7-10-26-27-13-15)3-2-4-20(14)29-21-8-9-24-19-11-16(23)5-6-18(19)21/h2-11,13H,12H2,1H3,(H,25,28)
InChIKeyYVSZWAMHEVDGFW-UHFFFAOYSA-N
MW404.86 g/mol
LogP4.71
Rot. Bonds5

About 3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridazin-4-ylmethyl)benzamide

3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridazin-4-ylmethyl)benzamide (PubChem CID 155779160) has the molecular formula C22H17ClN4O2 and a molecular weight of 404.86 g/mol. Its IUPAC name is 3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridazin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridazin-4-ylmethyl)benzamide
PubChem CID155779160
Molecular FormulaC22H17ClN4O2
Molecular Weight404.86 g/mol
Exact Mass404.10
IUPAC Name3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridazin-4-ylmethyl)benzamide
SMILESCc1c(Oc2ccnc3cc(Cl)ccc23)cccc1C(=O)NCc1ccnnc1
InChIInChI=1S/C22H17ClN4O2/c1-14-17(22(28)25-12-15-7-10-26-27-13-15)3-2-4-20(14)29-21-8-9-24-19-11-16(23)5-6-18(19)21/h2-11,13H,12H2,1H3,(H,25,28)
InChIKeyYVSZWAMHEVDGFW-UHFFFAOYSA-N
XLogP4.71
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(7-fluoroquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155778961
N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167674859
3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155779221
N-[(3,5-dichloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167638002
2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide
CID 155778979
2-methyl-3-(7-pyrazin-2-ylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide
CID 155778804
N-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167629765
N-[(3,5-dimethyl-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167561865
ethane;3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 155779132
N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167561863
N-[(3-fluoro-4-pyridinyl)methyl]-3-(7-iodoquinolin-4-yl)oxy-2-methylbenzamide
CID 166050617
3-[7-(dimethylamino)quinolin-4-yl]oxy-N-[(3-fluorophenyl)methyl]-2-methylbenzamide
CID 155778829

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridazin-4-ylmethyl)benzamide?
The IUPAC name of 3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridazin-4-ylmethyl)benzamide (CID 155779160) is 3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridazin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridazin-4-ylmethyl)benzamide?
The canonical SMILES for 3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridazin-4-ylmethyl)benzamide is Cc1c(Oc2ccnc3cc(Cl)ccc23)cccc1C(=O)NCc1ccnnc1.
What is the InChIKey of 3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridazin-4-ylmethyl)benzamide?
The InChIKey is YVSZWAMHEVDGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O2/c1-14-17(22(28)25-12-15-7-10-26-27-13-15)3-2-4-20(14)29-21-8-9-24-19-11-16(23)5-6-18(19)21/h2-11,13H,12H2,1H3,(H,25,28).
What are the key properties of 3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridazin-4-ylmethyl)benzamide?
3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridazin-4-ylmethyl)benzamide has a molecular weight of 404.86 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridazin-4-ylmethyl)benzamide is sourced from PubChem (CID 155779160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).