N-(3-hydroxy-4-methoxybutyl)-4-oxo-3H-phthalazine-1-carboxamide

C14H17N3O4 — CID 103877423

IUPACN-(3-hydroxy-4-methoxybutyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCOCC(O)CCNC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C14H17N3O4/c1-21-8-9(18)6-7-15-14(20)12-10-4-2-3-5-11(10)13(19)17-16-12/h2-5,9,18H,6-8H2,1H3,(H,15,20)(H,17,19)
InChIKeyFZZZVRNZOZTZAC-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.05
Rot. Bonds6

About N-(3-hydroxy-4-methoxybutyl)-4-oxo-3H-phthalazine-1-carboxamide

N-(3-hydroxy-4-methoxybutyl)-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 103877423) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID103877423
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCOCC(O)CCNC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C14H17N3O4/c1-21-8-9(18)6-7-15-14(20)12-10-4-2-3-5-11(10)13(19)17-16-12/h2-5,9,18H,6-8H2,1H3,(H,15,20)(H,17,19)
InChIKeyFZZZVRNZOZTZAC-UHFFFAOYSA-N
XLogP0.05
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(3-hydroxy-4-methoxybutyl)-4-oxo-3H-phthalazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-hydroxypropyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 83031398
N-[2-(2-amino-2-oxoethoxy)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 103767680
4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide
CID 9070861
N-[2-(methylsulfamoyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 102685137
N-(5-methylhexan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43398156
N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 107261147
N-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 32953564
N-[2-(2-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 27847901
4-oxo-N-pent-4-ynyl-3H-phthalazine-1-carboxamide
CID 103708902
N-(4-hydroxy-2,2-dimethylpentyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 111480109
4-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3H-phthalazine-1-carboxamide
CID 46598237
N-hexan-2-yl-4-oxo-3H-phthalazine-1-carboxamide
CID 62201020

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-4-oxo-3H-phthalazine-1-carboxamide (CID 103877423) is N-(3-hydroxy-4-methoxybutyl)-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-4-oxo-3H-phthalazine-1-carboxamide is COCC(O)CCNC(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is FZZZVRNZOZTZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-21-8-9(18)6-7-15-14(20)12-10-4-2-3-5-11(10)13(19)17-16-12/h2-5,9,18H,6-8H2,1H3,(H,15,20)(H,17,19).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-4-oxo-3H-phthalazine-1-carboxamide?
N-(3-hydroxy-4-methoxybutyl)-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 103877423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).