N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-3-carboxamide

C15H18N4O — CID 62242128

IUPACN-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-3-carboxamide
SMILESCC(NC(=O)c1cc2ccccc2c(NN)n1)C1CC1
InChIInChI=1S/C15H18N4O/c1-9(10-6-7-10)17-15(20)13-8-11-4-2-3-5-12(11)14(18-13)19-16/h2-5,8-10H,6-7,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyYBSVOHCSGJFSHD-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.05
Rot. Bonds4

About N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-3-carboxamide

N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-3-carboxamide (PubChem CID 62242128) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-3-carboxamide
PubChem CID62242128
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-3-carboxamide
SMILESCC(NC(=O)c1cc2ccccc2c(NN)n1)C1CC1
InChIInChI=1S/C15H18N4O/c1-9(10-6-7-10)17-15(20)13-8-11-4-2-3-5-12(11)14(18-13)19-16/h2-5,8-10H,6-7,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyYBSVOHCSGJFSHD-UHFFFAOYSA-N
XLogP2.05
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-3-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-3-carboxamide (CID 62242128) is N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-3-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-3-carboxamide is CC(NC(=O)c1cc2ccccc2c(NN)n1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-3-carboxamide?
The InChIKey is YBSVOHCSGJFSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-9(10-6-7-10)17-15(20)13-8-11-4-2-3-5-12(11)14(18-13)19-16/h2-5,8-10H,6-7,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-3-carboxamide?
N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-3-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-3-carboxamide is sourced from PubChem (CID 62242128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).