5-methyl-N'-(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)-1,3-oxazole-4-carbohydrazide

C18H18N4O4 — CID 166413292

IUPAC5-methyl-N'-(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)-1,3-oxazole-4-carbohydrazide
SMILESC=CC(=O)N1CCCc2cc(C(=O)NNC(=O)c3ncoc3C)ccc21
InChIInChI=1S/C18H18N4O4/c1-3-15(23)22-8-4-5-12-9-13(6-7-14(12)22)17(24)20-21-18(25)16-11(2)26-10-19-16/h3,6-7,9-10H,1,4-5,8H2,2H3,(H,20,24)(H,21,25)
InChIKeyMAYREGLJXIDVIW-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.52
Rot. Bonds3

About 5-methyl-N'-(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)-1,3-oxazole-4-carbohydrazide

5-methyl-N'-(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)-1,3-oxazole-4-carbohydrazide (PubChem CID 166413292) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 5-methyl-N'-(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)-1,3-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N'-(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)-1,3-oxazole-4-carbohydrazide
PubChem CID166413292
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name5-methyl-N'-(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)-1,3-oxazole-4-carbohydrazide
SMILESC=CC(=O)N1CCCc2cc(C(=O)NNC(=O)c3ncoc3C)ccc21
InChIInChI=1S/C18H18N4O4/c1-3-15(23)22-8-4-5-12-9-13(6-7-14(12)22)17(24)20-21-18(25)16-11(2)26-10-19-16/h3,6-7,9-10H,1,4-5,8H2,2H3,(H,20,24)(H,21,25)
InChIKeyMAYREGLJXIDVIW-UHFFFAOYSA-N
XLogP1.52
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_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 5-methyl-N'-(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)-1,3-oxazole-4-carbohydrazide?
The IUPAC name of 5-methyl-N'-(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)-1,3-oxazole-4-carbohydrazide (CID 166413292) is 5-methyl-N'-(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)-1,3-oxazole-4-carbohydrazide.
What is the SMILES notation for 5-methyl-N'-(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)-1,3-oxazole-4-carbohydrazide?
The canonical SMILES for 5-methyl-N'-(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)-1,3-oxazole-4-carbohydrazide is C=CC(=O)N1CCCc2cc(C(=O)NNC(=O)c3ncoc3C)ccc21.
What is the InChIKey of 5-methyl-N'-(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)-1,3-oxazole-4-carbohydrazide?
The InChIKey is MAYREGLJXIDVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-3-15(23)22-8-4-5-12-9-13(6-7-14(12)22)17(24)20-21-18(25)16-11(2)26-10-19-16/h3,6-7,9-10H,1,4-5,8H2,2H3,(H,20,24)(H,21,25).
What are the key properties of 5-methyl-N'-(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)-1,3-oxazole-4-carbohydrazide?
5-methyl-N'-(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)-1,3-oxazole-4-carbohydrazide has a molecular weight of 354.37 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N'-(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)-1,3-oxazole-4-carbohydrazide is sourced from PubChem (CID 166413292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).