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

C16H19N3O2 — CID 63569402

IUPAC2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-3-carbohydrazide
SMILESCC1CCc2ccccc2N1Cc1occc1C(=O)NN
InChIInChI=1S/C16H19N3O2/c1-11-6-7-12-4-2-3-5-14(12)19(11)10-15-13(8-9-21-15)16(20)18-17/h2-5,8-9,11H,6-7,10,17H2,1H3,(H,18,20)
InChIKeyHSVJBVUIQGJTFF-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.22
Rot. Bonds3

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

2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 63569402) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-3-carbohydrazide
PubChem CID63569402
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-3-carbohydrazide
SMILESCC1CCc2ccccc2N1Cc1occc1C(=O)NN
InChIInChI=1S/C16H19N3O2/c1-11-6-7-12-4-2-3-5-14(12)19(11)10-15-13(8-9-21-15)16(20)18-17/h2-5,8-9,11H,6-7,10,17H2,1H3,(H,18,20)
InChIKeyHSVJBVUIQGJTFF-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
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 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-3-carbohydrazide (CID 63569402) is 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-3-carbohydrazide is CC1CCc2ccccc2N1Cc1occc1C(=O)NN.
What is the InChIKey of 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is HSVJBVUIQGJTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-6-7-12-4-2-3-5-14(12)19(11)10-15-13(8-9-21-15)16(20)18-17/h2-5,8-9,11H,6-7,10,17H2,1H3,(H,18,20).
What are the key properties of 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-3-carbohydrazide?
2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 285.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63569402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).