8-(4-aminophenyl)-5-methyl-N-phenyl-5H-[1,3]dioxolo[4,5-g]phthalazine-6-carboxamide

C23H20N4O3 — CID 10668684

IUPAC8-(4-aminophenyl)-5-methyl-N-phenyl-5H-[1,3]dioxolo[4,5-g]phthalazine-6-carboxamide
SMILESCC1c2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)Nc1ccccc1)OCO3
InChIInChI=1S/C23H20N4O3/c1-14-18-11-20-21(30-13-29-20)12-19(18)22(15-7-9-16(24)10-8-15)26-27(14)23(28)25-17-5-3-2-4-6-17/h2-12,14H,13,24H2,1H3,(H,25,28)
InChIKeyDGSDGMHHRLAROS-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.36
Rot. Bonds2

About 8-(4-aminophenyl)-5-methyl-N-phenyl-5H-[1,3]dioxolo[4,5-g]phthalazine-6-carboxamide

8-(4-aminophenyl)-5-methyl-N-phenyl-5H-[1,3]dioxolo[4,5-g]phthalazine-6-carboxamide (PubChem CID 10668684) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 8-(4-aminophenyl)-5-methyl-N-phenyl-5H-[1,3]dioxolo[4,5-g]phthalazine-6-carboxamide.

Molecular Properties

Compound Name8-(4-aminophenyl)-5-methyl-N-phenyl-5H-[1,3]dioxolo[4,5-g]phthalazine-6-carboxamide
PubChem CID10668684
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name8-(4-aminophenyl)-5-methyl-N-phenyl-5H-[1,3]dioxolo[4,5-g]phthalazine-6-carboxamide
SMILESCC1c2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)Nc1ccccc1)OCO3
InChIInChI=1S/C23H20N4O3/c1-14-18-11-20-21(30-13-29-20)12-19(18)22(15-7-9-16(24)10-8-15)26-27(14)23(28)25-17-5-3-2-4-6-17/h2-12,14H,13,24H2,1H3,(H,25,28)
InChIKeyDGSDGMHHRLAROS-UHFFFAOYSA-N
XLogP4.36
TPSA89.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(4-aminophenyl)-5-methyl-N-phenyl-5H-[1,3]dioxolo[4,5-g]phthalazine-6-carboxamide?
The IUPAC name of 8-(4-aminophenyl)-5-methyl-N-phenyl-5H-[1,3]dioxolo[4,5-g]phthalazine-6-carboxamide (CID 10668684) is 8-(4-aminophenyl)-5-methyl-N-phenyl-5H-[1,3]dioxolo[4,5-g]phthalazine-6-carboxamide.
What is the SMILES notation for 8-(4-aminophenyl)-5-methyl-N-phenyl-5H-[1,3]dioxolo[4,5-g]phthalazine-6-carboxamide?
The canonical SMILES for 8-(4-aminophenyl)-5-methyl-N-phenyl-5H-[1,3]dioxolo[4,5-g]phthalazine-6-carboxamide is CC1c2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)Nc1ccccc1)OCO3.
What is the InChIKey of 8-(4-aminophenyl)-5-methyl-N-phenyl-5H-[1,3]dioxolo[4,5-g]phthalazine-6-carboxamide?
The InChIKey is DGSDGMHHRLAROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-14-18-11-20-21(30-13-29-20)12-19(18)22(15-7-9-16(24)10-8-15)26-27(14)23(28)25-17-5-3-2-4-6-17/h2-12,14H,13,24H2,1H3,(H,25,28).
What are the key properties of 8-(4-aminophenyl)-5-methyl-N-phenyl-5H-[1,3]dioxolo[4,5-g]phthalazine-6-carboxamide?
8-(4-aminophenyl)-5-methyl-N-phenyl-5H-[1,3]dioxolo[4,5-g]phthalazine-6-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-aminophenyl)-5-methyl-N-phenyl-5H-[1,3]dioxolo[4,5-g]phthalazine-6-carboxamide is sourced from PubChem (CID 10668684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).