N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxophthalazine-1-carboxamide

C17H17N3O3 — CID 4807510

IUPACN,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxophthalazine-1-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2nn(C)c(=O)c3ccccc23)o1
InChIInChI=1S/C17H17N3O3/c1-11-8-9-12(23-11)10-19(2)17(22)15-13-6-4-5-7-14(13)16(21)20(3)18-15/h4-9H,10H2,1-3H3
InChIKeyJKMKEQRWXCFCIW-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.11
Rot. Bonds3

About N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxophthalazine-1-carboxamide

N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxophthalazine-1-carboxamide (PubChem CID 4807510) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxophthalazine-1-carboxamide
PubChem CID4807510
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxophthalazine-1-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2nn(C)c(=O)c3ccccc23)o1
InChIInChI=1S/C17H17N3O3/c1-11-8-9-12(23-11)10-19(2)17(22)15-13-6-4-5-7-14(13)16(21)20(3)18-15/h4-9H,10H2,1-3H3
InChIKeyJKMKEQRWXCFCIW-UHFFFAOYSA-N
XLogP2.11
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxophthalazine-1-carboxamide?
The IUPAC name of N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxophthalazine-1-carboxamide (CID 4807510) is N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxophthalazine-1-carboxamide is Cc1ccc(CN(C)C(=O)c2nn(C)c(=O)c3ccccc23)o1.
What is the InChIKey of N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxophthalazine-1-carboxamide?
The InChIKey is JKMKEQRWXCFCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11-8-9-12(23-11)10-19(2)17(22)15-13-6-4-5-7-14(13)16(21)20(3)18-15/h4-9H,10H2,1-3H3.
What are the key properties of N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxophthalazine-1-carboxamide?
N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxophthalazine-1-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 4807510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).