2-methyl-N'-(3-oxocyclohexen-1-yl)quinoline-4-carbohydrazide

C17H17N3O2 — CID 2408482

IUPAC2-methyl-N'-(3-oxocyclohexen-1-yl)quinoline-4-carbohydrazide
SMILESCc1cc(C(=O)NNC2=CC(=O)CCC2)c2ccccc2n1
InChIInChI=1S/C17H17N3O2/c1-11-9-15(14-7-2-3-8-16(14)18-11)17(22)20-19-12-5-4-6-13(21)10-12/h2-3,7-10,19H,4-6H2,1H3,(H,20,22)
InChIKeyCBXJYDYWMBAHHI-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.41
Rot. Bonds3

About 2-methyl-N'-(3-oxocyclohexen-1-yl)quinoline-4-carbohydrazide

2-methyl-N'-(3-oxocyclohexen-1-yl)quinoline-4-carbohydrazide (PubChem CID 2408482) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-methyl-N'-(3-oxocyclohexen-1-yl)quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-(3-oxocyclohexen-1-yl)quinoline-4-carbohydrazide
PubChem CID2408482
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-methyl-N'-(3-oxocyclohexen-1-yl)quinoline-4-carbohydrazide
SMILESCc1cc(C(=O)NNC2=CC(=O)CCC2)c2ccccc2n1
InChIInChI=1S/C17H17N3O2/c1-11-9-15(14-7-2-3-8-16(14)18-11)17(22)20-19-12-5-4-6-13(21)10-12/h2-3,7-10,19H,4-6H2,1H3,(H,20,22)
InChIKeyCBXJYDYWMBAHHI-UHFFFAOYSA-N
XLogP2.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(3-oxocyclohexylidene)amino]quinoline-4-carboxamide
CID 5027702
2-methyl-N-piperidin-1-ylquinoline-4-carboxamide
CID 9271376
N-[(1-hydroxycyclobutyl)methyl]-2-methylquinoline-4-carboxamide
CID 115643532
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
CID 856039
2-methyl-N-[(4-methylcyclohexylidene)amino]quinoline-4-carboxamide
CID 5084896
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide
CID 63193778
N-(2-aminocyclohexyl)-2-methylquinoline-4-carboxamide
CID 61038363
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
CID 120944201
2-methoxy-1-(2-methylquinolin-4-yl)ethanone
CID 105115074
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(3-oxocyclohexen-1-yl)quinoline-4-carbohydrazide?
The IUPAC name of 2-methyl-N'-(3-oxocyclohexen-1-yl)quinoline-4-carbohydrazide (CID 2408482) is 2-methyl-N'-(3-oxocyclohexen-1-yl)quinoline-4-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-(3-oxocyclohexen-1-yl)quinoline-4-carbohydrazide?
The canonical SMILES for 2-methyl-N'-(3-oxocyclohexen-1-yl)quinoline-4-carbohydrazide is Cc1cc(C(=O)NNC2=CC(=O)CCC2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N'-(3-oxocyclohexen-1-yl)quinoline-4-carbohydrazide?
The InChIKey is CBXJYDYWMBAHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-9-15(14-7-2-3-8-16(14)18-11)17(22)20-19-12-5-4-6-13(21)10-12/h2-3,7-10,19H,4-6H2,1H3,(H,20,22).
What are the key properties of 2-methyl-N'-(3-oxocyclohexen-1-yl)quinoline-4-carbohydrazide?
2-methyl-N'-(3-oxocyclohexen-1-yl)quinoline-4-carbohydrazide has a molecular weight of 295.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(3-oxocyclohexen-1-yl)quinoline-4-carbohydrazide is sourced from PubChem (CID 2408482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).