2-(5-chloro-2-methylphenyl)-4-methylphthalazin-1-one

C16H13ClN2O — CID 7277251

IUPAC2-(5-chloro-2-methylphenyl)-4-methylphthalazin-1-one
SMILESCc1ccc(Cl)cc1-n1nc(C)c2ccccc2c1=O
InChIInChI=1S/C16H13ClN2O/c1-10-7-8-12(17)9-15(10)19-16(20)14-6-4-3-5-13(14)11(2)18-19/h3-9H,1-2H3
InChIKeyMPBCTCHGVRDYHN-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.66
Rot. Bonds1

About 2-(5-chloro-2-methylphenyl)-4-methylphthalazin-1-one

2-(5-chloro-2-methylphenyl)-4-methylphthalazin-1-one (PubChem CID 7277251) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenyl)-4-methylphthalazin-1-one.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenyl)-4-methylphthalazin-1-one
PubChem CID7277251
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name2-(5-chloro-2-methylphenyl)-4-methylphthalazin-1-one
SMILESCc1ccc(Cl)cc1-n1nc(C)c2ccccc2c1=O
InChIInChI=1S/C16H13ClN2O/c1-10-7-8-12(17)9-15(10)19-16(20)14-6-4-3-5-13(14)11(2)18-19/h3-9H,1-2H3
InChIKeyMPBCTCHGVRDYHN-UHFFFAOYSA-N
XLogP3.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1(2H)-Phthalazinone, 2,4-diphenyl-
CID 676336
Alilusem Potassium
CID 23684123
4-Methyl-2-[3-(trifluoromethyl)phenyl]phthalazin-1-one
CID 890123
4-Methyl-2-phenyl-2H-phthalazin-1-one
CID 245552
2-(3-Chloro-4-methylphenyl)phthalazin-1-one
CID 2460931
2-(3,5-dichlorophenyl)-4-phenyl-1(2H)-phthalazinone
CID 2806485
2-(3,4-Dichloro-phenyl)-4-methyl-2H-phthalazin-1-one
CID 627678
2-(4-Chlorophenyl)-1-phthalazinone
CID 519224
N-(4-chlorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 718212
N-(3,4-dichlorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 2991140
4-(4-chlorobenzoyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 11836343
N-(3-chloro-4-cyanophenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 26700919

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenyl)-4-methylphthalazin-1-one?
The IUPAC name of 2-(5-chloro-2-methylphenyl)-4-methylphthalazin-1-one (CID 7277251) is 2-(5-chloro-2-methylphenyl)-4-methylphthalazin-1-one.
What is the SMILES notation for 2-(5-chloro-2-methylphenyl)-4-methylphthalazin-1-one?
The canonical SMILES for 2-(5-chloro-2-methylphenyl)-4-methylphthalazin-1-one is Cc1ccc(Cl)cc1-n1nc(C)c2ccccc2c1=O.
What is the InChIKey of 2-(5-chloro-2-methylphenyl)-4-methylphthalazin-1-one?
The InChIKey is MPBCTCHGVRDYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-10-7-8-12(17)9-15(10)19-16(20)14-6-4-3-5-13(14)11(2)18-19/h3-9H,1-2H3.
What are the key properties of 2-(5-chloro-2-methylphenyl)-4-methylphthalazin-1-one?
2-(5-chloro-2-methylphenyl)-4-methylphthalazin-1-one has a molecular weight of 284.75 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylphenyl)-4-methylphthalazin-1-one is sourced from PubChem (CID 7277251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).