N-cyclopropyl-3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzamide

C31H27N5O2 — CID 54760853

IUPACN-cyclopropyl-3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzamide
SMILESCCn1nc(-c2cccc(-c3cccc(C(=O)NC4CC4)c3)c2)cc(Nc2cccc3ncccc23)c1=O
InChIInChI=1S/C31H27N5O2/c1-2-36-31(38)29(34-27-13-5-12-26-25(27)11-6-16-32-26)19-28(35-36)22-9-3-7-20(17-22)21-8-4-10-23(18-21)30(37)33-24-14-15-24/h3-13,16-19,24,34H,2,14-15H2,1H3,(H,33,37)
InChIKeyUEMKCCQSDCGAGB-UHFFFAOYSA-N
MW501.59 g/mol
LogP5.78
Rot. Bonds7

About N-cyclopropyl-3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzamide

N-cyclopropyl-3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzamide (PubChem CID 54760853) has the molecular formula C31H27N5O2 and a molecular weight of 501.59 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzamide
PubChem CID54760853
Molecular FormulaC31H27N5O2
Molecular Weight501.59 g/mol
Exact Mass501.22
IUPAC NameN-cyclopropyl-3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzamide
SMILESCCn1nc(-c2cccc(-c3cccc(C(=O)NC4CC4)c3)c2)cc(Nc2cccc3ncccc23)c1=O
InChIInChI=1S/C31H27N5O2/c1-2-36-31(38)29(34-27-13-5-12-26-25(27)11-6-16-32-26)19-28(35-36)22-9-3-7-20(17-22)21-8-4-10-23(18-21)30(37)33-24-14-15-24/h3-13,16-19,24,34H,2,14-15H2,1H3,(H,33,37)
InChIKeyUEMKCCQSDCGAGB-UHFFFAOYSA-N
XLogP5.78
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzamide?
The IUPAC name of N-cyclopropyl-3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzamide (CID 54760853) is N-cyclopropyl-3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzamide is CCn1nc(-c2cccc(-c3cccc(C(=O)NC4CC4)c3)c2)cc(Nc2cccc3ncccc23)c1=O.
What is the InChIKey of N-cyclopropyl-3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzamide?
The InChIKey is UEMKCCQSDCGAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N5O2/c1-2-36-31(38)29(34-27-13-5-12-26-25(27)11-6-16-32-26)19-28(35-36)22-9-3-7-20(17-22)21-8-4-10-23(18-21)30(37)33-24-14-15-24/h3-13,16-19,24,34H,2,14-15H2,1H3,(H,33,37).
What are the key properties of N-cyclopropyl-3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzamide?
N-cyclopropyl-3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzamide has a molecular weight of 501.59 g/mol, XLogP of 5.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzamide is sourced from PubChem (CID 54760853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).