2-(4-oxo-3H-phthalazin-1-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide

C22H20N4O2 — CID 75489239

IUPAC2-(4-oxo-3H-phthalazin-1-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C22H20N4O2/c27-20(12-19-14-7-1-2-8-16(14)22(28)26-25-19)23-18-11-5-9-15-13-6-3-4-10-17(13)24-21(15)18/h1-4,6-8,10,18,24H,5,9,11-12H2,(H,23,27)(H,26,28)
InChIKeyDVXAGRGBAXYWRV-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.14
Rot. Bonds3

About 2-(4-oxo-3H-phthalazin-1-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide

2-(4-oxo-3H-phthalazin-1-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide (PubChem CID 75489239) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(4-oxo-3H-phthalazin-1-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-3H-phthalazin-1-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide
PubChem CID75489239
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-(4-oxo-3H-phthalazin-1-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C22H20N4O2/c27-20(12-19-14-7-1-2-8-16(14)22(28)26-25-19)23-18-11-5-9-15-13-6-3-4-10-17(13)24-21(15)18/h1-4,6-8,10,18,24H,5,9,11-12H2,(H,23,27)(H,26,28)
InChIKeyDVXAGRGBAXYWRV-UHFFFAOYSA-N
XLogP3.14
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide?
The IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide (CID 75489239) is 2-(4-oxo-3H-phthalazin-1-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide.
What is the SMILES notation for 2-(4-oxo-3H-phthalazin-1-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide?
The canonical SMILES for 2-(4-oxo-3H-phthalazin-1-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide is O=C(Cc1n[nH]c(=O)c2ccccc12)NC1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of 2-(4-oxo-3H-phthalazin-1-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide?
The InChIKey is DVXAGRGBAXYWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-20(12-19-14-7-1-2-8-16(14)22(28)26-25-19)23-18-11-5-9-15-13-6-3-4-10-17(13)24-21(15)18/h1-4,6-8,10,18,24H,5,9,11-12H2,(H,23,27)(H,26,28).
What are the key properties of 2-(4-oxo-3H-phthalazin-1-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide?
2-(4-oxo-3H-phthalazin-1-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide has a molecular weight of 372.43 g/mol, XLogP of 3.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3H-phthalazin-1-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide is sourced from PubChem (CID 75489239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).