N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methyl-4-oxophthalazine-1-carboxamide

C21H19N5O3 — CID 135582442

IUPACN-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCC(C)n1c(O)c(/N=N/C(=O)c2nn(C)c(=O)c3ccccc23)c2ccccc21
InChIInChI=1S/C21H19N5O3/c1-12(2)26-16-11-7-6-10-15(16)18(21(26)29)22-23-19(27)17-13-8-4-5-9-14(13)20(28)25(3)24-17/h4-12,29H,1-3H3/b23-22+
InChIKeyLAEZMXHBGGIDSO-GHVJWSGMSA-N
MW389.42 g/mol
LogP4.10
Rot. Bonds3

About N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methyl-4-oxophthalazine-1-carboxamide

N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 135582442) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID135582442
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCC(C)n1c(O)c(/N=N/C(=O)c2nn(C)c(=O)c3ccccc23)c2ccccc21
InChIInChI=1S/C21H19N5O3/c1-12(2)26-16-11-7-6-10-15(16)18(21(26)29)22-23-19(27)17-13-8-4-5-9-14(13)20(28)25(3)24-17/h4-12,29H,1-3H3/b23-22+
InChIKeyLAEZMXHBGGIDSO-GHVJWSGMSA-N
XLogP4.10
TPSA101.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-4-oxophthalazine-1-carboxamide
CID 3350383
N-(1-ethyl-2-hydroxyindol-3-yl)imino-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 135811401
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-6-methylpyridine-3-carboxamide
CID 935067
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-phenylacetamide
CID 726771
3-ethyl-N-(1-ethyl-2-hydroxyindol-3-yl)imino-4-oxophthalazine-1-carboxamide
CID 135749649
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-(1-methylpyrrol-2-yl)acetamide
CID 135620100
1-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methylthiourea
CID 3947089
2-(1-adamantyl)-N-(2-hydroxy-1-propan-2-ylindol-3-yl)iminoacetamide
CID 135775403
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-(phenoxymethyl)furan-2-carboxamide
CID 135725844
4-[(4-ethoxyphenoxy)methyl]-N-(2-hydroxy-1-propan-2-ylindol-3-yl)iminobenzamide
CID 3515590
4-chloro-3-[(2-hydroxy-1-propan-2-ylindol-3-yl)diazenyl]benzoic acid
CID 135846205
1-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol
CID 3959776

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methyl-4-oxophthalazine-1-carboxamide (CID 135582442) is N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methyl-4-oxophthalazine-1-carboxamide is CC(C)n1c(O)c(/N=N/C(=O)c2nn(C)c(=O)c3ccccc23)c2ccccc21.
What is the InChIKey of N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is LAEZMXHBGGIDSO-GHVJWSGMSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-12(2)26-16-11-7-6-10-15(16)18(21(26)29)22-23-19(27)17-13-8-4-5-9-14(13)20(28)25(3)24-17/h4-12,29H,1-3H3/b23-22+.
What are the key properties of N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methyl-4-oxophthalazine-1-carboxamide?
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 135582442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).