N-(2-propan-2-yloxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide

C23H21N5O2 — CID 109129615

IUPACN-(2-propan-2-yloxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1ccc(Nc2cccc3cccnc23)nn1
InChIInChI=1S/C23H21N5O2/c1-15(2)30-20-11-4-3-9-17(20)26-23(29)19-12-13-21(28-27-19)25-18-10-5-7-16-8-6-14-24-22(16)18/h3-15H,1-2H3,(H,25,28)(H,26,29)
InChIKeyWVVIVLYPJXDSJQ-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.81
Rot. Bonds6

About N-(2-propan-2-yloxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide

N-(2-propan-2-yloxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide (PubChem CID 109129615) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(2-propan-2-yloxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
PubChem CID109129615
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-(2-propan-2-yloxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1ccc(Nc2cccc3cccnc23)nn1
InChIInChI=1S/C23H21N5O2/c1-15(2)30-20-11-4-3-9-17(20)26-23(29)19-12-13-21(28-27-19)25-18-10-5-7-16-8-6-14-24-22(16)18/h3-15H,1-2H3,(H,25,28)(H,26,29)
InChIKeyWVVIVLYPJXDSJQ-UHFFFAOYSA-N
XLogP4.81
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109129475
N-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109221912
N-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109317983
methyl 2-[[6-(quinolin-8-ylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109129923
6-(2,4-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109129616
N-butan-2-yl-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109111701
6-(2,6-dimethylanilino)-N-quinolin-8-ylpyridazine-3-carboxamide
CID 109127790
6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109129623
N-(3-chloro-4-methylphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109128991
6-[(2-methoxyphenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide
CID 109120046
N-(2-methoxyphenyl)-5-(quinolin-8-ylamino)pyrazine-2-carboxamide
CID 109293403
4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112905125

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-propan-2-yloxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide (CID 109129615) is N-(2-propan-2-yloxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-propan-2-yloxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-propan-2-yloxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide is CC(C)Oc1ccccc1NC(=O)c1ccc(Nc2cccc3cccnc23)nn1.
What is the InChIKey of N-(2-propan-2-yloxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide?
The InChIKey is WVVIVLYPJXDSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-15(2)30-20-11-4-3-9-17(20)26-23(29)19-12-13-21(28-27-19)25-18-10-5-7-16-8-6-14-24-22(16)18/h3-15H,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-(2-propan-2-yloxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide?
N-(2-propan-2-yloxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109129615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).