N-[6-(quinolin-8-ylamino)pyridazin-3-yl]cyclobutanecarboxamide

C18H17N5O — CID 113050407

IUPACN-[6-(quinolin-8-ylamino)pyridazin-3-yl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(Nc2cccc3cccnc23)nn1)C1CCC1
InChIInChI=1S/C18H17N5O/c24-18(13-5-1-6-13)21-16-10-9-15(22-23-16)20-14-8-2-4-12-7-3-11-19-17(12)14/h2-4,7-11,13H,1,5-6H2,(H,20,22)(H,21,23,24)
InChIKeyRZNOHJVGSVDCNK-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.51
Rot. Bonds4

About N-[6-(quinolin-8-ylamino)pyridazin-3-yl]cyclobutanecarboxamide

N-[6-(quinolin-8-ylamino)pyridazin-3-yl]cyclobutanecarboxamide (PubChem CID 113050407) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[6-(quinolin-8-ylamino)pyridazin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[6-(quinolin-8-ylamino)pyridazin-3-yl]cyclobutanecarboxamide
PubChem CID113050407
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-[6-(quinolin-8-ylamino)pyridazin-3-yl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(Nc2cccc3cccnc23)nn1)C1CCC1
InChIInChI=1S/C18H17N5O/c24-18(13-5-1-6-13)21-16-10-9-15(22-23-16)20-14-8-2-4-12-7-3-11-19-17(12)14/h2-4,7-11,13H,1,5-6H2,(H,20,22)(H,21,23,24)
InChIKeyRZNOHJVGSVDCNK-UHFFFAOYSA-N
XLogP3.51
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
N-[5-(quinolin-8-ylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036290
1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008383
N-[6-(2-tert-butylanilino)pyridazin-3-yl]cyclobutanecarboxamide
CID 113047094
2-(4-methylphenyl)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide
CID 113050401
1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
CID 109144816
3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide
CID 113050395
3-(cyclohexanecarbonylamino)-N-quinolin-8-ylbenzamide
CID 39927304
2-(4-methylphenoxy)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide
CID 113050394
cis-(2S,6R)-2,6-diphenyl-N-quinolin-8-ylcyclohexane-1-carboxamide
CID 177490344
4-(cyclohexanecarbonylamino)-N-quinolin-8-ylpiperidine-1-carboxamide
CID 127145528
2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 135023876

Frequently Asked Questions

What is the IUPAC name of N-[6-(quinolin-8-ylamino)pyridazin-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[6-(quinolin-8-ylamino)pyridazin-3-yl]cyclobutanecarboxamide (CID 113050407) is N-[6-(quinolin-8-ylamino)pyridazin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[6-(quinolin-8-ylamino)pyridazin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[6-(quinolin-8-ylamino)pyridazin-3-yl]cyclobutanecarboxamide is O=C(Nc1ccc(Nc2cccc3cccnc23)nn1)C1CCC1.
What is the InChIKey of N-[6-(quinolin-8-ylamino)pyridazin-3-yl]cyclobutanecarboxamide?
The InChIKey is RZNOHJVGSVDCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c24-18(13-5-1-6-13)21-16-10-9-15(22-23-16)20-14-8-2-4-12-7-3-11-19-17(12)14/h2-4,7-11,13H,1,5-6H2,(H,20,22)(H,21,23,24).
What are the key properties of N-[6-(quinolin-8-ylamino)pyridazin-3-yl]cyclobutanecarboxamide?
N-[6-(quinolin-8-ylamino)pyridazin-3-yl]cyclobutanecarboxamide has a molecular weight of 319.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(quinolin-8-ylamino)pyridazin-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 113050407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).