2-(3-chloropropyl)-4-(furan-2-yl)phthalazin-1-one

C15H13ClN2O2 — CID 142713116

IUPAC2-(3-chloropropyl)-4-(furan-2-yl)phthalazin-1-one
SMILESO=c1c2ccccc2c(-c2ccco2)nn1CCCCl
InChIInChI=1S/C15H13ClN2O2/c16-8-4-9-18-15(19)12-6-2-1-5-11(12)14(17-18)13-7-3-10-20-13/h1-3,5-7,10H,4,8-9H2
InChIKeyZMUJJPGBTCDIIE-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.29
Rot. Bonds4

About 2-(3-chloropropyl)-4-(furan-2-yl)phthalazin-1-one

2-(3-chloropropyl)-4-(furan-2-yl)phthalazin-1-one (PubChem CID 142713116) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 2-(3-chloropropyl)-4-(furan-2-yl)phthalazin-1-one.

Molecular Properties

Compound Name2-(3-chloropropyl)-4-(furan-2-yl)phthalazin-1-one
PubChem CID142713116
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name2-(3-chloropropyl)-4-(furan-2-yl)phthalazin-1-one
SMILESO=c1c2ccccc2c(-c2ccco2)nn1CCCCl
InChIInChI=1S/C15H13ClN2O2/c16-8-4-9-18-15(19)12-6-2-1-5-11(12)14(17-18)13-7-3-10-20-13/h1-3,5-7,10H,4,8-9H2
InChIKeyZMUJJPGBTCDIIE-UHFFFAOYSA-N
XLogP3.29
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorobutyl)-4-(4-chlorophenyl)phthalazin-1-one
CID 142711589
2-(3-chloropropyl)-4-(3-fluorophenyl)phthalazin-1-one
CID 142711548
2-(3-chloropropyl)-4-(diethylamino)phthalazin-1-one
CID 142713782
6,7-dichloro-2-(3-chloropropyl)-4-phenylphthalazin-1-one
CID 142711544
2-butyl-4-(3-chlorophenyl)phthalazin-1-one
CID 86166030
2-(5-chloropentyl)phthalazin-1-one
CID 43348317
4-(1-oxo-4-pyridin-3-ylphthalazin-2-yl)butanoyl chloride
CID 10314393
2-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one
CID 17428260
N'-[3-(furan-2-yl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24586065
dimethyl-[2-(1-oxo-4-phenylphthalazin-2-yl)ethyl]azanium chloride
CID 43834263
2-(3-chloropropyl)-4-phenylpyridazin-3-one
CID 156791318
2-(2-aminoethyl)-4-chlorophthalazin-1-one
CID 82391903

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-4-(furan-2-yl)phthalazin-1-one?
The IUPAC name of 2-(3-chloropropyl)-4-(furan-2-yl)phthalazin-1-one (CID 142713116) is 2-(3-chloropropyl)-4-(furan-2-yl)phthalazin-1-one.
What is the SMILES notation for 2-(3-chloropropyl)-4-(furan-2-yl)phthalazin-1-one?
The canonical SMILES for 2-(3-chloropropyl)-4-(furan-2-yl)phthalazin-1-one is O=c1c2ccccc2c(-c2ccco2)nn1CCCCl.
What is the InChIKey of 2-(3-chloropropyl)-4-(furan-2-yl)phthalazin-1-one?
The InChIKey is ZMUJJPGBTCDIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-8-4-9-18-15(19)12-6-2-1-5-11(12)14(17-18)13-7-3-10-20-13/h1-3,5-7,10H,4,8-9H2.
What are the key properties of 2-(3-chloropropyl)-4-(furan-2-yl)phthalazin-1-one?
2-(3-chloropropyl)-4-(furan-2-yl)phthalazin-1-one has a molecular weight of 288.73 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-4-(furan-2-yl)phthalazin-1-one is sourced from PubChem (CID 142713116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).