5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-2-carbohydrazide

C16H23N3O2 — CID 63572269

IUPAC5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-2-carbohydrazide
SMILESCC1Cc2ccccc2N(CC2CCC(C(=O)NN)O2)C1
InChIInChI=1S/C16H23N3O2/c1-11-8-12-4-2-3-5-14(12)19(9-11)10-13-6-7-15(21-13)16(20)18-17/h2-5,11,13,15H,6-10,17H2,1H3,(H,18,20)
InChIKeyWCWPNQCPLPYLRF-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.22
Rot. Bonds3

About 5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-2-carbohydrazide

5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-2-carbohydrazide (PubChem CID 63572269) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-2-carbohydrazide
PubChem CID63572269
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-2-carbohydrazide
SMILESCC1Cc2ccccc2N(CC2CCC(C(=O)NN)O2)C1
InChIInChI=1S/C16H23N3O2/c1-11-8-12-4-2-3-5-14(12)19(9-11)10-13-6-7-15(21-13)16(20)18-17/h2-5,11,13,15H,6-10,17H2,1H3,(H,18,20)
InChIKeyWCWPNQCPLPYLRF-UHFFFAOYSA-N
XLogP1.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-2-carbohydrazide (CID 63572269) is 5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-2-carbohydrazide is CC1Cc2ccccc2N(CC2CCC(C(=O)NN)O2)C1.
What is the InChIKey of 5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-2-carbohydrazide?
The InChIKey is WCWPNQCPLPYLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-8-12-4-2-3-5-14(12)19(9-11)10-13-6-7-15(21-13)16(20)18-17/h2-5,11,13,15H,6-10,17H2,1H3,(H,18,20).
What are the key properties of 5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-2-carbohydrazide?
5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-2-carbohydrazide has a molecular weight of 289.38 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 63572269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).