N-(3-methyloxolan-3-yl)-4-oxo-3H-phthalazine-1-carboxamide

C14H15N3O3 — CID 115769146

IUPACN-(3-methyloxolan-3-yl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCC1(NC(=O)c2n[nH]c(=O)c3ccccc23)CCOC1
InChIInChI=1S/C14H15N3O3/c1-14(6-7-20-8-14)15-13(19)11-9-4-2-3-5-10(9)12(18)17-16-11/h2-5H,6-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyOTJUMEMMHIHCMR-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.83
Rot. Bonds2

About N-(3-methyloxolan-3-yl)-4-oxo-3H-phthalazine-1-carboxamide

N-(3-methyloxolan-3-yl)-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 115769146) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(3-methyloxolan-3-yl)-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methyloxolan-3-yl)-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID115769146
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-(3-methyloxolan-3-yl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCC1(NC(=O)c2n[nH]c(=O)c3ccccc23)CCOC1
InChIInChI=1S/C14H15N3O3/c1-14(6-7-20-8-14)15-13(19)11-9-4-2-3-5-10(9)12(18)17-16-11/h2-5H,6-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyOTJUMEMMHIHCMR-UHFFFAOYSA-N
XLogP0.83
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyloxolan-3-yl)-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(3-methyloxolan-3-yl)-4-oxo-3H-phthalazine-1-carboxamide (CID 115769146) is N-(3-methyloxolan-3-yl)-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(3-methyloxolan-3-yl)-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(3-methyloxolan-3-yl)-4-oxo-3H-phthalazine-1-carboxamide is CC1(NC(=O)c2n[nH]c(=O)c3ccccc23)CCOC1.
What is the InChIKey of N-(3-methyloxolan-3-yl)-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is OTJUMEMMHIHCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-14(6-7-20-8-14)15-13(19)11-9-4-2-3-5-10(9)12(18)17-16-11/h2-5H,6-8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of N-(3-methyloxolan-3-yl)-4-oxo-3H-phthalazine-1-carboxamide?
N-(3-methyloxolan-3-yl)-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyloxolan-3-yl)-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 115769146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).