5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide

C14H18N4O2 — CID 63578367

IUPAC5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide
SMILESCc1nc2ccccc2n(CCCCC(=O)NN)c1=O
InChIInChI=1S/C14H18N4O2/c1-10-14(20)18(9-5-4-8-13(19)17-15)12-7-3-2-6-11(12)16-10/h2-3,6-7H,4-5,8-9,15H2,1H3,(H,17,19)
InChIKeyFVHNNUFNIYABLV-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.87
Rot. Bonds5

About 5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide

5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide (PubChem CID 63578367) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide
PubChem CID63578367
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide
SMILESCc1nc2ccccc2n(CCCCC(=O)NN)c1=O
InChIInChI=1S/C14H18N4O2/c1-10-14(20)18(9-5-4-8-13(19)17-15)12-7-3-2-6-11(12)16-10/h2-3,6-7H,4-5,8-9,15H2,1H3,(H,17,19)
InChIKeyFVHNNUFNIYABLV-UHFFFAOYSA-N
XLogP0.87
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide
CID 14616290
1-hexadecyl-3-methylquinoxalin-2-one
CID 57358117
3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
CID 62374383
3-(2-methylbenzimidazol-1-yl)propanehydrazide
CID 4738084
1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one
CID 55067815
N-(2-bromophenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324332
N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324347
N-(2-ethylphenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324349
2,2-dimethyl-5-(3-methyl-2-oxoquinoxalin-1-yl)pentanethioamide
CID 65260313
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
N-methyl-N-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]prop-2-ynamide
CID 146100678
3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide
CID 46324456

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide?
The IUPAC name of 5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide (CID 63578367) is 5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide.
What is the SMILES notation for 5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide?
The canonical SMILES for 5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide is Cc1nc2ccccc2n(CCCCC(=O)NN)c1=O.
What is the InChIKey of 5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide?
The InChIKey is FVHNNUFNIYABLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-14(20)18(9-5-4-8-13(19)17-15)12-7-3-2-6-11(12)16-10/h2-3,6-7H,4-5,8-9,15H2,1H3,(H,17,19).
What are the key properties of 5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide?
5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide has a molecular weight of 274.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide is sourced from PubChem (CID 63578367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).