N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide

C21H17N3O4 — CID 4053664

IUPACN-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCc3ccco3)c3ccccc3c2=O)cc1
InChIInChI=1S/C21H17N3O4/c1-27-15-10-8-14(9-11-15)24-21(26)18-7-3-2-6-17(18)19(23-24)20(25)22-13-16-5-4-12-28-16/h2-12H,13H2,1H3,(H,22,25)
InChIKeyRQVCVAKTEDPHLM-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.92
Rot. Bonds5

About N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide

N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide (PubChem CID 4053664) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
PubChem CID4053664
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC NameN-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCc3ccco3)c3ccccc3c2=O)cc1
InChIInChI=1S/C21H17N3O4/c1-27-15-10-8-14(9-11-15)24-21(26)18-7-3-2-6-17(18)19(23-24)20(25)22-13-16-5-4-12-28-16/h2-12H,13H2,1H3,(H,22,25)
InChIKeyRQVCVAKTEDPHLM-UHFFFAOYSA-N
XLogP2.92
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide (CID 4053664) is N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide is COc1ccc(-n2nc(C(=O)NCc3ccco3)c3ccccc3c2=O)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is RQVCVAKTEDPHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-27-15-10-8-14(9-11-15)24-21(26)18-7-3-2-6-17(18)19(23-24)20(25)22-13-16-5-4-12-28-16/h2-12H,13H2,1H3,(H,22,25).
What are the key properties of N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 375.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 4053664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).