N'-(4-oxo-3-propylphthalazine-1-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide

C25H25N5O3 — CID 46586481

IUPACN'-(4-oxo-3-propylphthalazine-1-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)c2cccc3c4c([nH]c23)CCCC4)c2ccccc2c1=O
InChIInChI=1S/C25H25N5O3/c1-2-14-30-25(33)18-10-4-3-9-17(18)22(29-30)24(32)28-27-23(31)19-12-7-11-16-15-8-5-6-13-20(15)26-21(16)19/h3-4,7,9-12,26H,2,5-6,8,13-14H2,1H3,(H,27,31)(H,28,32)
InChIKeyMXSRIBGIHBBPGE-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.24
Rot. Bonds4

About N'-(4-oxo-3-propylphthalazine-1-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide

N'-(4-oxo-3-propylphthalazine-1-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide (PubChem CID 46586481) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is N'-(4-oxo-3-propylphthalazine-1-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide.

Molecular Properties

Compound NameN'-(4-oxo-3-propylphthalazine-1-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide
PubChem CID46586481
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC NameN'-(4-oxo-3-propylphthalazine-1-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)c2cccc3c4c([nH]c23)CCCC4)c2ccccc2c1=O
InChIInChI=1S/C25H25N5O3/c1-2-14-30-25(33)18-10-4-3-9-17(18)22(29-30)24(32)28-27-23(31)19-12-7-11-16-15-8-5-6-13-20(15)26-21(16)19/h3-4,7,9-12,26H,2,5-6,8,13-14H2,1H3,(H,27,31)(H,28,32)
InChIKeyMXSRIBGIHBBPGE-UHFFFAOYSA-N
XLogP3.24
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-benzylbenzoyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 55341225
4-oxo-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]-3-propylphthalazine-1-carbohydrazide
CID 9327076
N'-[3-(4-ethylphenyl)propanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 9428189
N'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 26889959
3-butyl-N'-(4-ethylbenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 7995124
N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2110499
N'-[2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 26876179
2,4-dimethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 55341289
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide
CID 3958187
N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 27551825
N'-[2-chloro-5-(2,5-dimethylpyrrol-1-yl)benzoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 33222868

Frequently Asked Questions

What is the IUPAC name of N'-(4-oxo-3-propylphthalazine-1-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide?
The IUPAC name of N'-(4-oxo-3-propylphthalazine-1-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide (CID 46586481) is N'-(4-oxo-3-propylphthalazine-1-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide.
What is the SMILES notation for N'-(4-oxo-3-propylphthalazine-1-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide?
The canonical SMILES for N'-(4-oxo-3-propylphthalazine-1-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide is CCCn1nc(C(=O)NNC(=O)c2cccc3c4c([nH]c23)CCCC4)c2ccccc2c1=O.
What is the InChIKey of N'-(4-oxo-3-propylphthalazine-1-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide?
The InChIKey is MXSRIBGIHBBPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-2-14-30-25(33)18-10-4-3-9-17(18)22(29-30)24(32)28-27-23(31)19-12-7-11-16-15-8-5-6-13-20(15)26-21(16)19/h3-4,7,9-12,26H,2,5-6,8,13-14H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N'-(4-oxo-3-propylphthalazine-1-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide?
N'-(4-oxo-3-propylphthalazine-1-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide has a molecular weight of 443.51 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-oxo-3-propylphthalazine-1-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide is sourced from PubChem (CID 46586481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).