N-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanehydrazide

C13H17N3O2 — CID 116845764

IUPACN-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanehydrazide
SMILESCC(C(=O)N(C)N)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H17N3O2/c1-8(13(18)16(2)14)9-3-5-11-10(7-9)4-6-12(17)15-11/h3,5,7-8H,4,6,14H2,1-2H3,(H,15,17)
InChIKeyMXEQAVJFQYVKNA-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.01
Rot. Bonds2

About N-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanehydrazide

N-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanehydrazide (PubChem CID 116845764) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanehydrazide.

Molecular Properties

Compound NameN-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanehydrazide
PubChem CID116845764
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanehydrazide
SMILESCC(C(=O)N(C)N)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H17N3O2/c1-8(13(18)16(2)14)9-3-5-11-10(7-9)4-6-12(17)15-11/h3,5,7-8H,4,6,14H2,1-2H3,(H,15,17)
InChIKeyMXEQAVJFQYVKNA-UHFFFAOYSA-N
XLogP1.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

6-[1-(dimethylamino)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 116859940
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116859777
6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116964107
(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438819
(2S)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438818
methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 171864842
1-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 119729776
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-[hydroxy-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61087528
methyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 116940124
7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82759360

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanehydrazide?
The IUPAC name of N-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanehydrazide (CID 116845764) is N-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanehydrazide.
What is the SMILES notation for N-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanehydrazide?
The canonical SMILES for N-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanehydrazide is CC(C(=O)N(C)N)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanehydrazide?
The InChIKey is MXEQAVJFQYVKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(13(18)16(2)14)9-3-5-11-10(7-9)4-6-12(17)15-11/h3,5,7-8H,4,6,14H2,1-2H3,(H,15,17).
What are the key properties of N-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanehydrazide?
N-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanehydrazide has a molecular weight of 247.30 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanehydrazide is sourced from PubChem (CID 116845764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).