1-chloro-4-(2,5-dimethyl-1H-indol-3-yl)phthalazine

C18H14ClN3 — CID 87287590

IUPAC1-chloro-4-(2,5-dimethyl-1H-indol-3-yl)phthalazine
SMILESCc1ccc2[nH]c(C)c(-c3nnc(Cl)c4ccccc34)c2c1
InChIInChI=1S/C18H14ClN3/c1-10-7-8-15-14(9-10)16(11(2)20-15)17-12-5-3-4-6-13(12)18(19)22-21-17/h3-9,20H,1-2H3
InChIKeyRJYSBVSILFWDFE-UHFFFAOYSA-N
MW307.78 g/mol
LogP5.05
Rot. Bonds1

About 1-chloro-4-(2,5-dimethyl-1H-indol-3-yl)phthalazine

1-chloro-4-(2,5-dimethyl-1H-indol-3-yl)phthalazine (PubChem CID 87287590) has the molecular formula C18H14ClN3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 1-chloro-4-(2,5-dimethyl-1H-indol-3-yl)phthalazine.

Molecular Properties

Compound Name1-chloro-4-(2,5-dimethyl-1H-indol-3-yl)phthalazine
PubChem CID87287590
Molecular FormulaC18H14ClN3
Molecular Weight307.78 g/mol
Exact Mass307.09
IUPAC Name1-chloro-4-(2,5-dimethyl-1H-indol-3-yl)phthalazine
SMILESCc1ccc2[nH]c(C)c(-c3nnc(Cl)c4ccccc34)c2c1
InChIInChI=1S/C18H14ClN3/c1-10-7-8-15-14(9-10)16(11(2)20-15)17-12-5-3-4-6-13(12)18(19)22-21-17/h3-9,20H,1-2H3
InChIKeyRJYSBVSILFWDFE-UHFFFAOYSA-N
XLogP5.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.78
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-6-(1H-indol-2-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
CID 11500993
5-chloro-2,2,4,8-tetramethyl-6-(2-methyl-1H-indol-7-yl)-3,4-dihydro-1H-quinoline
CID 11688929
6-Chloro-11H-indolo[3,2-c]quinoline
CID 5410307
11H-Indolo[3,2-c]cinnoline
CID 5742808
4-(3,5-dichlorophenyl)-2-(1H-indol-2-yl)aniline;hydrochloride
CID 44533154
6,8,9-trimethyl-11H-indolo[3,2-c]quinoline
CID 5412959
11-chloro-10H-indolo[3,2-b]quinoline
CID 5454187
1-chloro-4-methyl-5H-pyridazino[4,5-b]indole
CID 71596891
11-chloro-5-methyl-7-phenyl-10H-indolo[3,2-b]quinolin-5-ium chloride
CID 10595862
1-(4-Chlorophenyl)-5-methyl-4,6-dihydro-3h-pyrido[4,3-b]carbazole
CID 256427
3-chloro-4-phenyl-2-(2-phenyl-1H-indol-3-yl)quinoline
CID 2537934
4-(4-Chlorophenyl)-1,3-diphenylpyrazolo[4,5-c]quinoline
CID 145975480

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2,5-dimethyl-1H-indol-3-yl)phthalazine?
The IUPAC name of 1-chloro-4-(2,5-dimethyl-1H-indol-3-yl)phthalazine (CID 87287590) is 1-chloro-4-(2,5-dimethyl-1H-indol-3-yl)phthalazine.
What is the SMILES notation for 1-chloro-4-(2,5-dimethyl-1H-indol-3-yl)phthalazine?
The canonical SMILES for 1-chloro-4-(2,5-dimethyl-1H-indol-3-yl)phthalazine is Cc1ccc2[nH]c(C)c(-c3nnc(Cl)c4ccccc34)c2c1.
What is the InChIKey of 1-chloro-4-(2,5-dimethyl-1H-indol-3-yl)phthalazine?
The InChIKey is RJYSBVSILFWDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3/c1-10-7-8-15-14(9-10)16(11(2)20-15)17-12-5-3-4-6-13(12)18(19)22-21-17/h3-9,20H,1-2H3.
What are the key properties of 1-chloro-4-(2,5-dimethyl-1H-indol-3-yl)phthalazine?
1-chloro-4-(2,5-dimethyl-1H-indol-3-yl)phthalazine has a molecular weight of 307.78 g/mol, XLogP of 5.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2,5-dimethyl-1H-indol-3-yl)phthalazine is sourced from PubChem (CID 87287590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).