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

C15H13N3O3 — CID 2085099

IUPACN-(furan-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)NCc2ccco2)c2ccccc2c1=O
InChIInChI=1S/C15H13N3O3/c1-18-15(20)12-7-3-2-6-11(12)13(17-18)14(19)16-9-10-5-4-8-21-10/h2-8H,9H2,1H3,(H,16,19)
InChIKeyITAGEYDMPAVQIL-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.46
Rot. Bonds3

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

N-(furan-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 2085099) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID2085099
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-(furan-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)NCc2ccco2)c2ccccc2c1=O
InChIInChI=1S/C15H13N3O3/c1-18-15(20)12-7-3-2-6-11(12)13(17-18)14(19)16-9-10-5-4-8-21-10/h2-8H,9H2,1H3,(H,16,19)
InChIKeyITAGEYDMPAVQIL-UHFFFAOYSA-N
XLogP1.46
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide (CID 2085099) is N-(furan-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide is Cn1nc(C(=O)NCc2ccco2)c2ccccc2c1=O.
What is the InChIKey of N-(furan-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is ITAGEYDMPAVQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-18-15(20)12-7-3-2-6-11(12)13(17-18)14(19)16-9-10-5-4-8-21-10/h2-8H,9H2,1H3,(H,16,19).
What are the key properties of N-(furan-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide?
N-(furan-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 2085099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).