3-methyl-4-oxo-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide

C15H17N3O3 — CID 2957695

IUPAC3-methyl-4-oxo-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide
SMILESCn1nc(C(=O)NCC2CCCO2)c2ccccc2c1=O
InChIInChI=1S/C15H17N3O3/c1-18-15(20)12-7-3-2-6-11(12)13(17-18)14(19)16-9-10-5-4-8-21-10/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,16,19)
InChIKeyHNHANSHSSAUPQM-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.84
Rot. Bonds3

About 3-methyl-4-oxo-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide

3-methyl-4-oxo-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide (PubChem CID 2957695) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide
PubChem CID2957695
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-methyl-4-oxo-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide
SMILESCn1nc(C(=O)NCC2CCCO2)c2ccccc2c1=O
InChIInChI=1S/C15H17N3O3/c1-18-15(20)12-7-3-2-6-11(12)13(17-18)14(19)16-9-10-5-4-8-21-10/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,16,19)
InChIKeyHNHANSHSSAUPQM-UHFFFAOYSA-N
XLogP0.84
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-butyl-N-cycloheptyl-4-oxophthalazine-1-carboxamide
CID 2085247
3-methyl-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide
CID 971523
3-methyl-4-oxo-N-(1-phenylethyl)phthalazine-1-carboxamide
CID 2955469
N-isopropyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide
CID 3237634
N-(2-methoxyethyl)-2-(1-oxo-4-phenylphthalazin-2(1H)-yl)acetamide
CID 3152384
3-(1-oxo-4-phenylphthalazin-2(1H)-yl)-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 662201
3-benzyl-4-oxo-N-pentan-3-ylphthalazine-1-carboxamide
CID 2107726
4-oxo-N-propyl-3H-phthalazine-1-carboxamide
CID 2110254
[2-Oxo-2-(propan-2-ylamino)ethyl] 3-ethyl-4-oxophthalazine-1-carboxylate
CID 2399215
4-(3-methyl-4-oxophthalazin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 2952201
3,4-Dihydro-N-(1-methylpropyl)-4-oxo-1-phthalazinecarboxamide
CID 2998476
N-(2-hydroxypropyl)-4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzamide
CID 3155241

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide (CID 2957695) is 3-methyl-4-oxo-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide is Cn1nc(C(=O)NCC2CCCO2)c2ccccc2c1=O.
What is the InChIKey of 3-methyl-4-oxo-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide?
The InChIKey is HNHANSHSSAUPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18-15(20)12-7-3-2-6-11(12)13(17-18)14(19)16-9-10-5-4-8-21-10/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,16,19).
What are the key properties of 3-methyl-4-oxo-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide?
3-methyl-4-oxo-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide is sourced from PubChem (CID 2957695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).