2-methyl-N'-(2-morpholin-4-ylacetyl)quinoline-3-carbohydrazide

C17H20N4O3 — CID 3077463

IUPAC2-methyl-N'-(2-morpholin-4-ylacetyl)quinoline-3-carbohydrazide
SMILESCc1nc2ccccc2cc1C(=O)NNC(=O)CN1CCOCC1
InChIInChI=1S/C17H20N4O3/c1-12-14(10-13-4-2-3-5-15(13)18-12)17(23)20-19-16(22)11-21-6-8-24-9-7-21/h2-5,10H,6-9,11H2,1H3,(H,19,22)(H,20,23)
InChIKeyFWLVZVVHTUQXRT-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.64
Rot. Bonds3

About 2-methyl-N'-(2-morpholin-4-ylacetyl)quinoline-3-carbohydrazide

2-methyl-N'-(2-morpholin-4-ylacetyl)quinoline-3-carbohydrazide (PubChem CID 3077463) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-methyl-N'-(2-morpholin-4-ylacetyl)quinoline-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-(2-morpholin-4-ylacetyl)quinoline-3-carbohydrazide
PubChem CID3077463
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-methyl-N'-(2-morpholin-4-ylacetyl)quinoline-3-carbohydrazide
SMILESCc1nc2ccccc2cc1C(=O)NNC(=O)CN1CCOCC1
InChIInChI=1S/C17H20N4O3/c1-12-14(10-13-4-2-3-5-15(13)18-12)17(23)20-19-16(22)11-21-6-8-24-9-7-21/h2-5,10H,6-9,11H2,1H3,(H,19,22)(H,20,23)
InChIKeyFWLVZVVHTUQXRT-UHFFFAOYSA-N
XLogP0.64
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(2-morpholin-4-ylacetyl)quinoline-3-carbohydrazide?
The IUPAC name of 2-methyl-N'-(2-morpholin-4-ylacetyl)quinoline-3-carbohydrazide (CID 3077463) is 2-methyl-N'-(2-morpholin-4-ylacetyl)quinoline-3-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-(2-morpholin-4-ylacetyl)quinoline-3-carbohydrazide?
The canonical SMILES for 2-methyl-N'-(2-morpholin-4-ylacetyl)quinoline-3-carbohydrazide is Cc1nc2ccccc2cc1C(=O)NNC(=O)CN1CCOCC1.
What is the InChIKey of 2-methyl-N'-(2-morpholin-4-ylacetyl)quinoline-3-carbohydrazide?
The InChIKey is FWLVZVVHTUQXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-12-14(10-13-4-2-3-5-15(13)18-12)17(23)20-19-16(22)11-21-6-8-24-9-7-21/h2-5,10H,6-9,11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-methyl-N'-(2-morpholin-4-ylacetyl)quinoline-3-carbohydrazide?
2-methyl-N'-(2-morpholin-4-ylacetyl)quinoline-3-carbohydrazide has a molecular weight of 328.37 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(2-morpholin-4-ylacetyl)quinoline-3-carbohydrazide is sourced from PubChem (CID 3077463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).