N'-benzoyl-1H-isoquinoline-2-carbohydrazide

C17H15N3O2 — CID 54109174

IUPACN'-benzoyl-1H-isoquinoline-2-carbohydrazide
SMILESO=C(NNC(=O)N1C=Cc2ccccc2C1)c1ccccc1
InChIInChI=1S/C17H15N3O2/c21-16(14-7-2-1-3-8-14)18-19-17(22)20-11-10-13-6-4-5-9-15(13)12-20/h1-11H,12H2,(H,18,21)(H,19,22)
InChIKeyNFWAZABDNHBPSP-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.53
Rot. Bonds1

About N'-benzoyl-1H-isoquinoline-2-carbohydrazide

N'-benzoyl-1H-isoquinoline-2-carbohydrazide (PubChem CID 54109174) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N'-benzoyl-1H-isoquinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-1H-isoquinoline-2-carbohydrazide
PubChem CID54109174
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN'-benzoyl-1H-isoquinoline-2-carbohydrazide
SMILESO=C(NNC(=O)N1C=Cc2ccccc2C1)c1ccccc1
InChIInChI=1S/C17H15N3O2/c21-16(14-7-2-1-3-8-14)18-19-17(22)20-11-10-13-6-4-5-9-15(13)12-20/h1-11H,12H2,(H,18,21)(H,19,22)
InChIKeyNFWAZABDNHBPSP-UHFFFAOYSA-N
XLogP2.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-isoquinoline-2-carbonylamino)formamide
CID 20705871
N'-(4-fluorophenyl)-1H-isoquinoline-2-carbohydrazide
CID 90791739
N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-isoquinoline-2-carboxamide
CID 10286523
1-(1H-isoquinolin-2-yl)prop-1-en-1-ol
CID 67836198
N-(1,3-dihydroisoindol-2-yl)benzamide
CID 3118896
N'-oxidobenzohydrazide
CID 174971627
4-(1H-isoquinolin-2-yl)-3-methyl-4-oxobutanenitrile
CID 57150163
1H-isoquinolin-2-yl carbamate
CID 151878845
(3-methyl-1,2-oxazol-5-yl)methyl 1H-isoquinoline-2-carboxylate
CID 66654778
N'-(2-oxo-2-phenylacetyl)benzohydrazide
CID 12792453
N-methyl-1H-isoquinolin-2-amine
CID 89267020
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-1H-isoquinoline-2-carbohydrazide?
The IUPAC name of N'-benzoyl-1H-isoquinoline-2-carbohydrazide (CID 54109174) is N'-benzoyl-1H-isoquinoline-2-carbohydrazide.
What is the SMILES notation for N'-benzoyl-1H-isoquinoline-2-carbohydrazide?
The canonical SMILES for N'-benzoyl-1H-isoquinoline-2-carbohydrazide is O=C(NNC(=O)N1C=Cc2ccccc2C1)c1ccccc1.
What is the InChIKey of N'-benzoyl-1H-isoquinoline-2-carbohydrazide?
The InChIKey is NFWAZABDNHBPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-16(14-7-2-1-3-8-14)18-19-17(22)20-11-10-13-6-4-5-9-15(13)12-20/h1-11H,12H2,(H,18,21)(H,19,22).
What are the key properties of N'-benzoyl-1H-isoquinoline-2-carbohydrazide?
N'-benzoyl-1H-isoquinoline-2-carbohydrazide has a molecular weight of 293.33 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-1H-isoquinoline-2-carbohydrazide is sourced from PubChem (CID 54109174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).