1-hydrazinyl-N-(2-propan-2-yloxyethyl)isoquinoline-4-carboxamide

C15H20N4O2 — CID 106774378

IUPAC1-hydrazinyl-N-(2-propan-2-yloxyethyl)isoquinoline-4-carboxamide
SMILESCC(C)OCCNC(=O)c1cnc(NN)c2ccccc12
InChIInChI=1S/C15H20N4O2/c1-10(2)21-8-7-17-15(20)13-9-18-14(19-16)12-6-4-3-5-11(12)13/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyUWHQCMQBRFJPBU-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.68
Rot. Bonds6

About 1-hydrazinyl-N-(2-propan-2-yloxyethyl)isoquinoline-4-carboxamide

1-hydrazinyl-N-(2-propan-2-yloxyethyl)isoquinoline-4-carboxamide (PubChem CID 106774378) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-hydrazinyl-N-(2-propan-2-yloxyethyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-hydrazinyl-N-(2-propan-2-yloxyethyl)isoquinoline-4-carboxamide
PubChem CID106774378
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-hydrazinyl-N-(2-propan-2-yloxyethyl)isoquinoline-4-carboxamide
SMILESCC(C)OCCNC(=O)c1cnc(NN)c2ccccc12
InChIInChI=1S/C15H20N4O2/c1-10(2)21-8-7-17-15(20)13-9-18-14(19-16)12-6-4-3-5-11(12)13/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyUWHQCMQBRFJPBU-UHFFFAOYSA-N
XLogP1.68
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

1-hydrazinylisoquinoline-4-carbohydrazide
CID 165346130
N-[3-(dimethylamino)propyl]-1-hydrazinylisoquinoline-4-carboxamide
CID 106773595
1-(ethylamino)-N-(2-methoxyethyl)isoquinoline-4-carboxamide
CID 106770082
N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-4-carboxamide
CID 106773929
1-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)isoquinoline-4-carboxamide
CID 106773855
1-amino-N-(2-methoxyethyl)isoquinoline-4-carboxamide
CID 106770080
N-ethyl-1-hydrazinyl-N-propan-2-ylisoquinoline-4-carboxamide
CID 106773895
N-butan-2-yl-1-hydrazinyl-N-methylisoquinoline-4-carboxamide
CID 106773886
1-amino-N-[2-(2-methylpropoxy)ethyl]isoquinoline-4-carboxamide
CID 106773007
1-hydrazinyl-N-(thiophen-3-ylmethyl)isoquinoline-4-carboxamide
CID 106774052
1-(ethylamino)-N-(3-methoxypropyl)isoquinoline-4-carboxamide
CID 106770431
1-amino-N-(2-ethoxyethyl)isoquinoline-4-carboxamide
CID 106769712

Frequently Asked Questions

What is the IUPAC name of 1-hydrazinyl-N-(2-propan-2-yloxyethyl)isoquinoline-4-carboxamide?
The IUPAC name of 1-hydrazinyl-N-(2-propan-2-yloxyethyl)isoquinoline-4-carboxamide (CID 106774378) is 1-hydrazinyl-N-(2-propan-2-yloxyethyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-hydrazinyl-N-(2-propan-2-yloxyethyl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-hydrazinyl-N-(2-propan-2-yloxyethyl)isoquinoline-4-carboxamide is CC(C)OCCNC(=O)c1cnc(NN)c2ccccc12.
What is the InChIKey of 1-hydrazinyl-N-(2-propan-2-yloxyethyl)isoquinoline-4-carboxamide?
The InChIKey is UWHQCMQBRFJPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)21-8-7-17-15(20)13-9-18-14(19-16)12-6-4-3-5-11(12)13/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 1-hydrazinyl-N-(2-propan-2-yloxyethyl)isoquinoline-4-carboxamide?
1-hydrazinyl-N-(2-propan-2-yloxyethyl)isoquinoline-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydrazinyl-N-(2-propan-2-yloxyethyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 106774378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).