N-(9H-fluoren-3-yl)-3-methyl-4-oxophthalazine-1-carboxamide

C23H17N3O2 — CID 8699316

IUPACN-(9H-fluoren-3-yl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c2ccccc2c1=O
InChIInChI=1S/C23H17N3O2/c1-26-23(28)19-9-5-4-8-18(19)21(25-26)22(27)24-16-11-10-15-12-14-6-2-3-7-17(14)20(15)13-16/h2-11,13H,12H2,1H3,(H,24,27)
InChIKeyVNUFOMLVULYQML-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.76
Rot. Bonds2

About N-(9H-fluoren-3-yl)-3-methyl-4-oxophthalazine-1-carboxamide

N-(9H-fluoren-3-yl)-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 8699316) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(9H-fluoren-3-yl)-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(9H-fluoren-3-yl)-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID8699316
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC NameN-(9H-fluoren-3-yl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c2ccccc2c1=O
InChIInChI=1S/C23H17N3O2/c1-26-23(28)19-9-5-4-8-18(19)21(25-26)22(27)24-16-11-10-15-12-14-6-2-3-7-17(14)20(15)13-16/h2-11,13H,12H2,1H3,(H,24,27)
InChIKeyVNUFOMLVULYQML-UHFFFAOYSA-N
XLogP3.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-3-yl)-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(9H-fluoren-3-yl)-3-methyl-4-oxophthalazine-1-carboxamide (CID 8699316) is N-(9H-fluoren-3-yl)-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(9H-fluoren-3-yl)-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(9H-fluoren-3-yl)-3-methyl-4-oxophthalazine-1-carboxamide is Cn1nc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c2ccccc2c1=O.
What is the InChIKey of N-(9H-fluoren-3-yl)-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is VNUFOMLVULYQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c1-26-23(28)19-9-5-4-8-18(19)21(25-26)22(27)24-16-11-10-15-12-14-6-2-3-7-17(14)20(15)13-16/h2-11,13H,12H2,1H3,(H,24,27).
What are the key properties of N-(9H-fluoren-3-yl)-3-methyl-4-oxophthalazine-1-carboxamide?
N-(9H-fluoren-3-yl)-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-3-yl)-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 8699316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).