4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methylfuran-2-carbohydrazide

C16H19N3O2 — CID 63568697

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methylfuran-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1CN1CCCc2ccccc21
InChIInChI=1S/C16H19N3O2/c1-11-13(9-15(21-11)16(20)18-17)10-19-8-4-6-12-5-2-3-7-14(12)19/h2-3,5,7,9H,4,6,8,10,17H2,1H3,(H,18,20)
InChIKeyMTXKOMKKMNPUCC-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.14
Rot. Bonds3

About 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methylfuran-2-carbohydrazide

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methylfuran-2-carbohydrazide (PubChem CID 63568697) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methylfuran-2-carbohydrazide
PubChem CID63568697
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methylfuran-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1CN1CCCc2ccccc21
InChIInChI=1S/C16H19N3O2/c1-11-13(9-15(21-11)16(20)18-17)10-19-8-4-6-12-5-2-3-7-14(12)19/h2-3,5,7,9H,4,6,8,10,17H2,1H3,(H,18,20)
InChIKeyMTXKOMKKMNPUCC-UHFFFAOYSA-N
XLogP2.14
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.14
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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Related Compounds

4-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide
CID 63570994
5-methyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid
CID 62273109
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 43375573
5-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid
CID 62273459
5-methyl-4-(piperazin-1-ylmethyl)furan-2-carbohydrazide
CID 63583235
3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carbohydrazide
CID 63570279
5-methyl-4-[(4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63569181
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 28631466
5-methyl-4-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]furan-2-carbohydrazide
CID 63580010
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-methylphenol
CID 112616048
5-methyl-4-[(2-methyl-6-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 55213686

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methylfuran-2-carbohydrazide?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methylfuran-2-carbohydrazide (CID 63568697) is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methylfuran-2-carbohydrazide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methylfuran-2-carbohydrazide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methylfuran-2-carbohydrazide is Cc1oc(C(=O)NN)cc1CN1CCCc2ccccc21.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methylfuran-2-carbohydrazide?
The InChIKey is MTXKOMKKMNPUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-13(9-15(21-11)16(20)18-17)10-19-8-4-6-12-5-2-3-7-14(12)19/h2-3,5,7,9H,4,6,8,10,17H2,1H3,(H,18,20).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methylfuran-2-carbohydrazide?
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methylfuran-2-carbohydrazide has a molecular weight of 285.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63568697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).