N-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-2-carboxamide

C14H11N3O3 — CID 7626458

IUPACN-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-2-carboxamide
SMILESO=C(NCc1n[nH]c(=O)c2ccccc12)c1ccco1
InChIInChI=1S/C14H11N3O3/c18-13-10-5-2-1-4-9(10)11(16-17-13)8-15-14(19)12-6-3-7-20-12/h1-7H,8H2,(H,15,19)(H,17,18)
InChIKeyNREWNELVSAUGKP-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.45
Rot. Bonds3

About N-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-2-carboxamide

N-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-2-carboxamide (PubChem CID 7626458) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-2-carboxamide
PubChem CID7626458
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC NameN-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-2-carboxamide
SMILESO=C(NCc1n[nH]c(=O)c2ccccc12)c1ccco1
InChIInChI=1S/C14H11N3O3/c18-13-10-5-2-1-4-9(10)11(16-17-13)8-15-14(19)12-6-3-7-20-12/h1-7H,8H2,(H,15,19)(H,17,18)
InChIKeyNREWNELVSAUGKP-UHFFFAOYSA-N
XLogP1.45
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-2-carboxamide (CID 7626458) is N-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-2-carboxamide is O=C(NCc1n[nH]c(=O)c2ccccc12)c1ccco1.
What is the InChIKey of N-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-2-carboxamide?
The InChIKey is NREWNELVSAUGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-13-10-5-2-1-4-9(10)11(16-17-13)8-15-14(19)12-6-3-7-20-12/h1-7H,8H2,(H,15,19)(H,17,18).
What are the key properties of N-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-2-carboxamide?
N-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-2-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 7626458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).