4-(6-chloro-2,3-dihydroindole-1-carbonyl)-2H-phthalazin-1-one

C17H12ClN3O2 — CID 167785269

IUPAC4-(6-chloro-2,3-dihydroindole-1-carbonyl)-2H-phthalazin-1-one
SMILESO=C(c1n[nH]c(=O)c2ccccc12)N1CCc2ccc(Cl)cc21
InChIInChI=1S/C17H12ClN3O2/c18-11-6-5-10-7-8-21(14(10)9-11)17(23)15-12-3-1-2-4-13(12)16(22)20-19-15/h1-6,9H,7-8H2,(H,20,22)
InChIKeySYTXYCFKSMEENO-UHFFFAOYSA-N
MW325.76 g/mol
LogP2.78
Rot. Bonds1

About 4-(6-chloro-2,3-dihydroindole-1-carbonyl)-2H-phthalazin-1-one

4-(6-chloro-2,3-dihydroindole-1-carbonyl)-2H-phthalazin-1-one (PubChem CID 167785269) has the molecular formula C17H12ClN3O2 and a molecular weight of 325.76 g/mol. Its IUPAC name is 4-(6-chloro-2,3-dihydroindole-1-carbonyl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(6-chloro-2,3-dihydroindole-1-carbonyl)-2H-phthalazin-1-one
PubChem CID167785269
Molecular FormulaC17H12ClN3O2
Molecular Weight325.76 g/mol
Exact Mass325.06
IUPAC Name4-(6-chloro-2,3-dihydroindole-1-carbonyl)-2H-phthalazin-1-one
SMILESO=C(c1n[nH]c(=O)c2ccccc12)N1CCc2ccc(Cl)cc21
InChIInChI=1S/C17H12ClN3O2/c18-11-6-5-10-7-8-21(14(10)9-11)17(23)15-12-3-1-2-4-13(12)16(22)20-19-15/h1-6,9H,7-8H2,(H,20,22)
InChIKeySYTXYCFKSMEENO-UHFFFAOYSA-N
XLogP2.78
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)-2H-phthalazin-1-one
CID 17233939
4-[4-(4-oxo-3H-phthalazine-1-carbonyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 167744195
4-(4-oxopiperidine-1-carbonyl)-2H-phthalazin-1-one
CID 71564575
6-chloro-2,3-dihydroindole-1-carbonyl chloride
CID 139548954
1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one
CID 135195397
4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one
CID 2482453
3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one
CID 119310127
4-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl)-2H-phthalazin-1-one
CID 124609450
4-[(1R)-1-propyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-2H-phthalazin-1-one
CID 95330584
4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 46684946
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9176992
4-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-2H-phthalazin-1-one
CID 26009467

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2,3-dihydroindole-1-carbonyl)-2H-phthalazin-1-one?
The IUPAC name of 4-(6-chloro-2,3-dihydroindole-1-carbonyl)-2H-phthalazin-1-one (CID 167785269) is 4-(6-chloro-2,3-dihydroindole-1-carbonyl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(6-chloro-2,3-dihydroindole-1-carbonyl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(6-chloro-2,3-dihydroindole-1-carbonyl)-2H-phthalazin-1-one is O=C(c1n[nH]c(=O)c2ccccc12)N1CCc2ccc(Cl)cc21.
What is the InChIKey of 4-(6-chloro-2,3-dihydroindole-1-carbonyl)-2H-phthalazin-1-one?
The InChIKey is SYTXYCFKSMEENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2/c18-11-6-5-10-7-8-21(14(10)9-11)17(23)15-12-3-1-2-4-13(12)16(22)20-19-15/h1-6,9H,7-8H2,(H,20,22).
What are the key properties of 4-(6-chloro-2,3-dihydroindole-1-carbonyl)-2H-phthalazin-1-one?
4-(6-chloro-2,3-dihydroindole-1-carbonyl)-2H-phthalazin-1-one has a molecular weight of 325.76 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2,3-dihydroindole-1-carbonyl)-2H-phthalazin-1-one is sourced from PubChem (CID 167785269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).