1-hydrazinyl-N-(3-methylcyclobutyl)isoquinoline-4-carboxamide

C15H18N4O — CID 106774391

IUPAC1-hydrazinyl-N-(3-methylcyclobutyl)isoquinoline-4-carboxamide
SMILESCC1CC(NC(=O)c2cnc(NN)c3ccccc23)C1
InChIInChI=1S/C15H18N4O/c1-9-6-10(7-9)18-15(20)13-8-17-14(19-16)12-5-3-2-4-11(12)13/h2-5,8-10H,6-7,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyUVUYNQPGRPDRRP-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.05
Rot. Bonds3

About 1-hydrazinyl-N-(3-methylcyclobutyl)isoquinoline-4-carboxamide

1-hydrazinyl-N-(3-methylcyclobutyl)isoquinoline-4-carboxamide (PubChem CID 106774391) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-hydrazinyl-N-(3-methylcyclobutyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-hydrazinyl-N-(3-methylcyclobutyl)isoquinoline-4-carboxamide
PubChem CID106774391
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-hydrazinyl-N-(3-methylcyclobutyl)isoquinoline-4-carboxamide
SMILESCC1CC(NC(=O)c2cnc(NN)c3ccccc23)C1
InChIInChI=1S/C15H18N4O/c1-9-6-10(7-9)18-15(20)13-8-17-14(19-16)12-5-3-2-4-11(12)13/h2-5,8-10H,6-7,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyUVUYNQPGRPDRRP-UHFFFAOYSA-N
XLogP2.05
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hydrazinylisoquinoline-4-carbohydrazide
CID 165346130
(2,4-dimethylpyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone
CID 106774476
N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-4-carboxamide
CID 106773929
3-fluoro-2-hydrazinyl-N-(3-methylcyclobutyl)pyridine-4-carboxamide
CID 105388602
N-[3-(dimethylamino)propyl]-1-hydrazinylisoquinoline-4-carboxamide
CID 106773595
1-hydrazinyl-N-(2-propan-2-yloxyethyl)isoquinoline-4-carboxamide
CID 106774378
(3,4-dihydroxypyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone
CID 106774564
1-hydroxy-N-(3-methylcyclobutyl)naphthalene-2-carboxamide
CID 115671062
1-amino-N-cyclopentylisoquinoline-4-carboxamide
CID 106770096
1-hydrazinyl-N-(2-methyltetrazol-5-yl)isoquinoline-4-carboxamide
CID 106774275
1-(methylamino)-N-(2-methylcyclopentyl)isoquinoline-4-carboxamide
CID 106771845
1-hydrazinyl-N-(3-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide
CID 106773338

Frequently Asked Questions

What is the IUPAC name of 1-hydrazinyl-N-(3-methylcyclobutyl)isoquinoline-4-carboxamide?
The IUPAC name of 1-hydrazinyl-N-(3-methylcyclobutyl)isoquinoline-4-carboxamide (CID 106774391) is 1-hydrazinyl-N-(3-methylcyclobutyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-hydrazinyl-N-(3-methylcyclobutyl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-hydrazinyl-N-(3-methylcyclobutyl)isoquinoline-4-carboxamide is CC1CC(NC(=O)c2cnc(NN)c3ccccc23)C1.
What is the InChIKey of 1-hydrazinyl-N-(3-methylcyclobutyl)isoquinoline-4-carboxamide?
The InChIKey is UVUYNQPGRPDRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-9-6-10(7-9)18-15(20)13-8-17-14(19-16)12-5-3-2-4-11(12)13/h2-5,8-10H,6-7,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 1-hydrazinyl-N-(3-methylcyclobutyl)isoquinoline-4-carboxamide?
1-hydrazinyl-N-(3-methylcyclobutyl)isoquinoline-4-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydrazinyl-N-(3-methylcyclobutyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 106774391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).