morpholin-4-yl-[2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]quinolin-4-yl]methanone

C20H19N5O2 — CID 24776774

IUPACmorpholin-4-yl-[2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]quinolin-4-yl]methanone
SMILESO=C(c1cc(N/N=C/c2ccncc2)nc2ccccc12)N1CCOCC1
InChIInChI=1S/C20H19N5O2/c26-20(25-9-11-27-12-10-25)17-13-19(23-18-4-2-1-3-16(17)18)24-22-14-15-5-7-21-8-6-15/h1-8,13-14H,9-12H2,(H,23,24)/b22-14+
InChIKeyZRUSMNNEZSMCMO-HYARGMPZSA-N
MW361.41 g/mol
LogP2.55
Rot. Bonds4

About morpholin-4-yl-[2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]quinolin-4-yl]methanone

morpholin-4-yl-[2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]quinolin-4-yl]methanone (PubChem CID 24776774) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is morpholin-4-yl-[2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]quinolin-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]quinolin-4-yl]methanone
PubChem CID24776774
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Namemorpholin-4-yl-[2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]quinolin-4-yl]methanone
SMILESO=C(c1cc(N/N=C/c2ccncc2)nc2ccccc12)N1CCOCC1
InChIInChI=1S/C20H19N5O2/c26-20(25-9-11-27-12-10-25)17-13-19(23-18-4-2-1-3-16(17)18)24-22-14-15-5-7-21-8-6-15/h1-8,13-14H,9-12H2,(H,23,24)/b22-14+
InChIKeyZRUSMNNEZSMCMO-HYARGMPZSA-N
XLogP2.55
TPSA79.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]quinolin-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]quinolin-4-yl]methanone (CID 24776774) is morpholin-4-yl-[2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]quinolin-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]quinolin-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]quinolin-4-yl]methanone is O=C(c1cc(N/N=C/c2ccncc2)nc2ccccc12)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]quinolin-4-yl]methanone?
The InChIKey is ZRUSMNNEZSMCMO-HYARGMPZSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-20(25-9-11-27-12-10-25)17-13-19(23-18-4-2-1-3-16(17)18)24-22-14-15-5-7-21-8-6-15/h1-8,13-14H,9-12H2,(H,23,24)/b22-14+.
What are the key properties of morpholin-4-yl-[2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]quinolin-4-yl]methanone?
morpholin-4-yl-[2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]quinolin-4-yl]methanone has a molecular weight of 361.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]quinolin-4-yl]methanone is sourced from PubChem (CID 24776774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).