2-(3-chloropropyl)-4-(diethylamino)phthalazin-1-one

C15H20ClN3O — CID 142713782

IUPAC2-(3-chloropropyl)-4-(diethylamino)phthalazin-1-one
SMILESCCN(CC)c1nn(CCCCl)c(=O)c2ccccc12
InChIInChI=1S/C15H20ClN3O/c1-3-18(4-2)14-12-8-5-6-9-13(12)15(20)19(17-14)11-7-10-16/h5-6,8-9H,3-4,7,10-11H2,1-2H3
InChIKeyAWQWBSPROGZDRD-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.87
Rot. Bonds6

About 2-(3-chloropropyl)-4-(diethylamino)phthalazin-1-one

2-(3-chloropropyl)-4-(diethylamino)phthalazin-1-one (PubChem CID 142713782) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-(3-chloropropyl)-4-(diethylamino)phthalazin-1-one.

Molecular Properties

Compound Name2-(3-chloropropyl)-4-(diethylamino)phthalazin-1-one
PubChem CID142713782
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-(3-chloropropyl)-4-(diethylamino)phthalazin-1-one
SMILESCCN(CC)c1nn(CCCCl)c(=O)c2ccccc12
InChIInChI=1S/C15H20ClN3O/c1-3-18(4-2)14-12-8-5-6-9-13(12)15(20)19(17-14)11-7-10-16/h5-6,8-9H,3-4,7,10-11H2,1-2H3
InChIKeyAWQWBSPROGZDRD-UHFFFAOYSA-N
XLogP2.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-chloropropyl)-4-(diethylamino)phthalazin-1-one 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

2-(3-chloropropyl)-4-(furan-2-yl)phthalazin-1-one
CID 142713116
2-(3-chloropropyl)-4-(3-fluorophenyl)phthalazin-1-one
CID 142711548
2-(4-chlorobutyl)-4-(4-chlorophenyl)phthalazin-1-one
CID 142711589
2-[2-(diethylamino)ethyl]-4-methylphthalazin-1-one;hydrochloride
CID 3057183
N-butyl-N-methyl-4-oxo-3-pentylphthalazine-1-carboxamide
CID 78796231
6,7-dichloro-2-(3-chloropropyl)-4-phenylphthalazin-1-one
CID 142711544
N,N-dimethyl-4-oxo-3-pentylphthalazine-1-carboxamide
CID 46652418
2-(2-aminoethyl)-4-methylphthalazin-1-one
CID 121199498
2-(5-chloropentyl)phthalazin-1-one
CID 43348317
2-butyl-4-(3-chlorophenyl)phthalazin-1-one
CID 86166030
4-methyl-2-[2-(methylamino)ethyl]phthalazin-1-one
CID 19898934
3-(3-chloropropyl)-2-ethylquinazolin-4-one
CID 59723865

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-4-(diethylamino)phthalazin-1-one?
The IUPAC name of 2-(3-chloropropyl)-4-(diethylamino)phthalazin-1-one (CID 142713782) is 2-(3-chloropropyl)-4-(diethylamino)phthalazin-1-one.
What is the SMILES notation for 2-(3-chloropropyl)-4-(diethylamino)phthalazin-1-one?
The canonical SMILES for 2-(3-chloropropyl)-4-(diethylamino)phthalazin-1-one is CCN(CC)c1nn(CCCCl)c(=O)c2ccccc12.
What is the InChIKey of 2-(3-chloropropyl)-4-(diethylamino)phthalazin-1-one?
The InChIKey is AWQWBSPROGZDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-3-18(4-2)14-12-8-5-6-9-13(12)15(20)19(17-14)11-7-10-16/h5-6,8-9H,3-4,7,10-11H2,1-2H3.
What are the key properties of 2-(3-chloropropyl)-4-(diethylamino)phthalazin-1-one?
2-(3-chloropropyl)-4-(diethylamino)phthalazin-1-one has a molecular weight of 293.80 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-4-(diethylamino)phthalazin-1-one is sourced from PubChem (CID 142713782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).