3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid

C15H9ClN2O3 — CID 2805924

IUPAC3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12
InChIInChI=1S/C15H9ClN2O3/c16-9-5-7-10(8-6-9)18-14(19)12-4-2-1-3-11(12)13(17-18)15(20)21/h1-8H,(H,20,21)
InChIKeyBGEBUJJAUHQRGW-UHFFFAOYSA-N
MW300.70 g/mol
LogP2.74
Rot. Bonds2

About 3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid

3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid (PubChem CID 2805924) has the molecular formula C15H9ClN2O3 and a molecular weight of 300.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid
PubChem CID2805924
Molecular FormulaC15H9ClN2O3
Molecular Weight300.70 g/mol
Exact Mass300.03
IUPAC Name3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12
InChIInChI=1S/C15H9ClN2O3/c16-9-5-7-10(8-6-9)18-14(19)12-4-2-1-3-11(12)13(17-18)15(20)21/h1-8H,(H,20,21)
InChIKeyBGEBUJJAUHQRGW-UHFFFAOYSA-N
XLogP2.74
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-4-oxo-N-phenylphthalazine-1-carboxamide
CID 2805931
3-(4-chlorophenyl)-N,N-dimethyl-4-oxophthalazine-1-carboxamide
CID 2805926
4-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]benzoic acid
CID 16772339
N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2086576
2-(4-chlorophenyl)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 15915779
2-(4-chlorophenyl)-4-phenylphthalazin-1-one
CID 110172596
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide
CID 44773550
4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one
CID 24503340
4-[2-(4-chlorophenyl)morpholine-4-carbonyl]-2-phenylphthalazin-1-one
CID 55948397
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26893308
[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-oxo-3-phenylphthalazine-1-carboxylate
CID 46696668
8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indole-1-carboxylic acid
CID 57216606

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid?
The IUPAC name of 3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid (CID 2805924) is 3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid?
The canonical SMILES for 3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid is O=C(O)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12.
What is the InChIKey of 3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid?
The InChIKey is BGEBUJJAUHQRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O3/c16-9-5-7-10(8-6-9)18-14(19)12-4-2-1-3-11(12)13(17-18)15(20)21/h1-8H,(H,20,21).
What are the key properties of 3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid?
3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid has a molecular weight of 300.70 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid is sourced from PubChem (CID 2805924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).