3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide

C20H13F2N5O — CID 113050395

IUPAC3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(Nc2cccc3cccnc23)nn1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H13F2N5O/c21-14-7-6-13(11-15(14)22)20(28)25-18-9-8-17(26-27-18)24-16-5-1-3-12-4-2-10-23-19(12)16/h1-11H,(H,24,26)(H,25,27,28)
InChIKeyOQDDLDYOKBHRNF-UHFFFAOYSA-N
MW377.35 g/mol
LogP4.30
Rot. Bonds4

About 3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide

3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide (PubChem CID 113050395) has the molecular formula C20H13F2N5O and a molecular weight of 377.35 g/mol. Its IUPAC name is 3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide
PubChem CID113050395
Molecular FormulaC20H13F2N5O
Molecular Weight377.35 g/mol
Exact Mass377.11
IUPAC Name3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(Nc2cccc3cccnc23)nn1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H13F2N5O/c21-14-7-6-13(11-15(14)22)20(28)25-18-9-8-17(26-27-18)24-16-5-1-3-12-4-2-10-23-19(12)16/h1-11H,(H,24,26)(H,25,27,28)
InChIKeyOQDDLDYOKBHRNF-UHFFFAOYSA-N
XLogP4.30
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-difluoro-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 113000714
6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109164848
N-[6-(2-cyanoanilino)pyridazin-3-yl]-3,4-difluorobenzamide
CID 113051139
4-chloro-N-[6-(quinolin-8-ylamino)-3-pyridinyl]benzamide
CID 113021752
N-(3,4-difluorophenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109270508
6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109163204
6-(2,4-difluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109164851
N-[6-(3-chloroanilino)pyridazin-3-yl]-3,4-difluorobenzamide
CID 113047474
3,4-difluoro-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048646
N-[6-(quinolin-8-ylamino)pyridazin-3-yl]cyclobutanecarboxamide
CID 113050407
3-chloro-N-[5-(quinolin-8-ylamino)-2-pyridinyl]benzamide
CID 113036320
2-(4-methylphenyl)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide
CID 113050401

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide (CID 113050395) is 3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide is O=C(Nc1ccc(Nc2cccc3cccnc23)nn1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide?
The InChIKey is OQDDLDYOKBHRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N5O/c21-14-7-6-13(11-15(14)22)20(28)25-18-9-8-17(26-27-18)24-16-5-1-3-12-4-2-10-23-19(12)16/h1-11H,(H,24,26)(H,25,27,28).
What are the key properties of 3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide?
3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide has a molecular weight of 377.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113050395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).