3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]-N-(2-morpholin-4-ylethyl)benzamide

C34H34N6O3 — CID 54760855

IUPAC3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCn1nc(-c2cccc(-c3cccc(C(=O)NCCN4CCOCC4)c3)c2)cc(Nc2cccc3ncccc23)c1=O
InChIInChI=1S/C34H34N6O3/c1-2-40-34(42)32(37-30-13-5-12-29-28(30)11-6-14-35-29)23-31(38-40)26-9-3-7-24(21-26)25-8-4-10-27(22-25)33(41)36-15-16-39-17-19-43-20-18-39/h3-14,21-23,37H,2,15-20H2,1H3,(H,36,41)
InChIKeyRHXWLBNCBVVQCI-UHFFFAOYSA-N
MW574.69 g/mol
LogP4.95
Rot. Bonds9

About 3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]-N-(2-morpholin-4-ylethyl)benzamide

3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 54760855) has the molecular formula C34H34N6O3 and a molecular weight of 574.69 g/mol. Its IUPAC name is 3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID54760855
Molecular FormulaC34H34N6O3
Molecular Weight574.69 g/mol
Exact Mass574.27
IUPAC Name3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCn1nc(-c2cccc(-c3cccc(C(=O)NCCN4CCOCC4)c3)c2)cc(Nc2cccc3ncccc23)c1=O
InChIInChI=1S/C34H34N6O3/c1-2-40-34(42)32(37-30-13-5-12-29-28(30)11-6-14-35-29)23-31(38-40)26-9-3-7-24(21-26)25-8-4-10-27(22-25)33(41)36-15-16-39-17-19-43-20-18-39/h3-14,21-23,37H,2,15-20H2,1H3,(H,36,41)
InChIKeyRHXWLBNCBVVQCI-UHFFFAOYSA-N
XLogP4.95
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.69
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]-N-(2-morpholin-4-ylethyl)benzamide with MolForge

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Related Compounds

2-[[3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzoyl]amino]acetic acid
CID 54759364
methyl 2-[[3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzoyl]amino]acetate
CID 70053668
3-[3-[5-[(3-amino-5-chloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 90716279
3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 118779645
3-imidazo[1,2-b]pyridazin-3-yl-N-(2-morpholin-4-ylethyl)benzamide
CID 122562053
6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 121495695
3-[14-(methanesulfonamido)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-5-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 67411090
5-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-3-N,3-N-dimethyl-1-N-(2-piperidin-1-ylethyl)benzene-1,3-dicarboxamide
CID 67549118
3-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 118781591
5-[3-[5-[(3-chloro-5-hydroxy-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-1-N-(2-piperidin-1-ylethyl)-3-N-(2-pyrrolidin-1-ylethyl)benzene-1,3-dicarboxamide
CID 91396983
2-N-(2,6-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109083750
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4110000

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]-N-(2-morpholin-4-ylethyl)benzamide (CID 54760855) is 3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]-N-(2-morpholin-4-ylethyl)benzamide is CCn1nc(-c2cccc(-c3cccc(C(=O)NCCN4CCOCC4)c3)c2)cc(Nc2cccc3ncccc23)c1=O.
What is the InChIKey of 3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is RHXWLBNCBVVQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N6O3/c1-2-40-34(42)32(37-30-13-5-12-29-28(30)11-6-14-35-29)23-31(38-40)26-9-3-7-24(21-26)25-8-4-10-27(22-25)33(41)36-15-16-39-17-19-43-20-18-39/h3-14,21-23,37H,2,15-20H2,1H3,(H,36,41).
What are the key properties of 3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]-N-(2-morpholin-4-ylethyl)benzamide?
3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 574.69 g/mol, XLogP of 4.95, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 54760855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).