6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carbohydrazide

C13H18N4O2 — CID 115193038

IUPAC6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carbohydrazide
SMILESCNCCc1ccc2c(c1)CCC(=O)N2C(=O)NN
InChIInChI=1S/C13H18N4O2/c1-15-7-6-9-2-4-11-10(8-9)3-5-12(18)17(11)13(19)16-14/h2,4,8,15H,3,5-7,14H2,1H3,(H,16,19)
InChIKeyZVZOMNNVBZVCCG-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.31
Rot. Bonds3

About 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carbohydrazide

6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carbohydrazide (PubChem CID 115193038) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carbohydrazide.

Molecular Properties

Compound Name6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carbohydrazide
PubChem CID115193038
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carbohydrazide
SMILESCNCCc1ccc2c(c1)CCC(=O)N2C(=O)NN
InChIInChI=1S/C13H18N4O2/c1-15-7-6-9-2-4-11-10(8-9)3-5-12(18)17(11)13(19)16-14/h2,4,8,15H,3,5-7,14H2,1H3,(H,16,19)
InChIKeyZVZOMNNVBZVCCG-UHFFFAOYSA-N
XLogP0.31
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.31
H-Bond Donors ≤ 53
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

methyl 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carboxylate
CID 115190786
1-ethyl-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 115259576
6-[2-(methylamino)ethyl]-1-propan-2-yl-3,4-dihydroquinolin-2-one
CID 117044162
1-(3-aminopropyl)-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 115197456
6-(methylaminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylic acid
CID 115170974
methyl 6-(aminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylate
CID 115190559
6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 115229304
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide
CID 115166541
2,2-dimethyl-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]propanamide
CID 110788697
4-chloro-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide
CID 110788721
6-(methylamino)-1-[3-(methylamino)propanoyl]-3,4-dihydroquinolin-2-one
CID 115153207
1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 82479603

Frequently Asked Questions

What is the IUPAC name of 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carbohydrazide?
The IUPAC name of 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carbohydrazide (CID 115193038) is 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carbohydrazide.
What is the SMILES notation for 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carbohydrazide?
The canonical SMILES for 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carbohydrazide is CNCCc1ccc2c(c1)CCC(=O)N2C(=O)NN.
What is the InChIKey of 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carbohydrazide?
The InChIKey is ZVZOMNNVBZVCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-15-7-6-9-2-4-11-10(8-9)3-5-12(18)17(11)13(19)16-14/h2,4,8,15H,3,5-7,14H2,1H3,(H,16,19).
What are the key properties of 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carbohydrazide?
6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carbohydrazide has a molecular weight of 262.31 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carbohydrazide is sourced from PubChem (CID 115193038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).