N-(2-indol-1-ylethyl)-3-methyl-4-oxophthalazine-1-carboxamide

C20H18N4O2 — CID 71705958

IUPACN-(2-indol-1-ylethyl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)NCCn2ccc3ccccc32)c2ccccc2c1=O
InChIInChI=1S/C20H18N4O2/c1-23-20(26)16-8-4-3-7-15(16)18(22-23)19(25)21-11-13-24-12-10-14-6-2-5-9-17(14)24/h2-10,12H,11,13H2,1H3,(H,21,25)
InChIKeyXYIOGCRDGWNQPP-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.32
Rot. Bonds4

About N-(2-indol-1-ylethyl)-3-methyl-4-oxophthalazine-1-carboxamide

N-(2-indol-1-ylethyl)-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 71705958) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(2-indol-1-ylethyl)-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-indol-1-ylethyl)-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID71705958
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-(2-indol-1-ylethyl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)NCCn2ccc3ccccc32)c2ccccc2c1=O
InChIInChI=1S/C20H18N4O2/c1-23-20(26)16-8-4-3-7-15(16)18(22-23)19(25)21-11-13-24-12-10-14-6-2-5-9-17(14)24/h2-10,12H,11,13H2,1H3,(H,21,25)
InChIKeyXYIOGCRDGWNQPP-UHFFFAOYSA-N
XLogP2.32
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-oxophthalazine-1-carboxamide
CID 4825768
N-(2-indol-1-ylethyl)-2,6-dimethoxybenzamide
CID 110732644
benzyl-methyl-[3-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]propyl]azanium
CID 9049370
1,1-diethyl-3-(2-indol-1-ylethyl)urea
CID 108726423
3-methyl-4-oxo-N-prop-2-enylphthalazine-1-carboxamide
CID 2449801
3-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]phthalazine-1-carboxamide
CID 9163172
2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide
CID 108750477
N-(2-indol-1-ylethyl)-2-iodobenzamide
CID 3247556
N-(2-indol-1-ylethyl)-4-phenylbenzamide
CID 4251768
N-[2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 31526897
N-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 71709074
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 18110420

Frequently Asked Questions

What is the IUPAC name of N-(2-indol-1-ylethyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(2-indol-1-ylethyl)-3-methyl-4-oxophthalazine-1-carboxamide (CID 71705958) is N-(2-indol-1-ylethyl)-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(2-indol-1-ylethyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(2-indol-1-ylethyl)-3-methyl-4-oxophthalazine-1-carboxamide is Cn1nc(C(=O)NCCn2ccc3ccccc32)c2ccccc2c1=O.
What is the InChIKey of N-(2-indol-1-ylethyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is XYIOGCRDGWNQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-23-20(26)16-8-4-3-7-15(16)18(22-23)19(25)21-11-13-24-12-10-14-6-2-5-9-17(14)24/h2-10,12H,11,13H2,1H3,(H,21,25).
What are the key properties of N-(2-indol-1-ylethyl)-3-methyl-4-oxophthalazine-1-carboxamide?
N-(2-indol-1-ylethyl)-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-indol-1-ylethyl)-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 71705958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).