5-chloro-11H-indeno[1,2-c]isoquinoline

C16H10ClN — CID 22290968

IUPAC5-chloro-11H-indeno[1,2-c]isoquinoline
SMILESClc1nc2c(c3ccccc13)Cc1ccccc1-2
InChIInChI=1S/C16H10ClN/c17-16-13-8-4-3-7-12(13)14-9-10-5-1-2-6-11(10)15(14)18-16/h1-8H,9H2
InChIKeyGZXISGUZLQYABD-UHFFFAOYSA-N
MW251.72 g/mol
LogP4.46
Rot. Bonds

About 5-chloro-11H-indeno[1,2-c]isoquinoline

5-chloro-11H-indeno[1,2-c]isoquinoline (PubChem CID 22290968) has the molecular formula C16H10ClN and a molecular weight of 251.72 g/mol. Its IUPAC name is 5-chloro-11H-indeno[1,2-c]isoquinoline.

Molecular Properties

Compound Name5-chloro-11H-indeno[1,2-c]isoquinoline
PubChem CID22290968
Molecular FormulaC16H10ClN
Molecular Weight251.72 g/mol
Exact Mass251.05
IUPAC Name5-chloro-11H-indeno[1,2-c]isoquinoline
SMILESClc1nc2c(c3ccccc13)Cc1ccccc1-2
InChIInChI=1S/C16H10ClN/c17-16-13-8-4-3-7-12(13)14-9-10-5-1-2-6-11(10)15(14)18-16/h1-8H,9H2
InChIKeyGZXISGUZLQYABD-UHFFFAOYSA-N
XLogP4.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-methyl-5H-indeno[1,2-b]pyridine
CID 10512877
5-(3-bromophenyl)-11H-indeno[1,2-c]isoquinoline
CID 129088173
3,4-dimethoxy-5H-indeno[1,2-b]pyridin-2-amine
CID 67354604
11H-indeno[1,2-b]quinoline-8,10-diamine
CID 23644790
4-(2-chlorophenyl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile
CID 2816368
2-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-5H-indeno[1,2-d]pyrimidine
CID 122487429
4-(4-chlorophenyl)-2-pyridin-2-yl-5H-indeno[1,2-b]pyridine
CID 102085470
12-(1-benzylindol-3-yl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
CID 171855148
12-pyren-1-yl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
CID 170360196
4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]-5H-indeno[1,2-d]pyrimidine
CID 144884682
4-[4-(4-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol
CID 137175160
5-naphthalen-1-yl-11H-benzo[a]fluorene
CID 161363694

Frequently Asked Questions

What is the IUPAC name of 5-chloro-11H-indeno[1,2-c]isoquinoline?
The IUPAC name of 5-chloro-11H-indeno[1,2-c]isoquinoline (CID 22290968) is 5-chloro-11H-indeno[1,2-c]isoquinoline.
What is the SMILES notation for 5-chloro-11H-indeno[1,2-c]isoquinoline?
The canonical SMILES for 5-chloro-11H-indeno[1,2-c]isoquinoline is Clc1nc2c(c3ccccc13)Cc1ccccc1-2.
What is the InChIKey of 5-chloro-11H-indeno[1,2-c]isoquinoline?
The InChIKey is GZXISGUZLQYABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN/c17-16-13-8-4-3-7-12(13)14-9-10-5-1-2-6-11(10)15(14)18-16/h1-8H,9H2.
What are the key properties of 5-chloro-11H-indeno[1,2-c]isoquinoline?
5-chloro-11H-indeno[1,2-c]isoquinoline has a molecular weight of 251.72 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-11H-indeno[1,2-c]isoquinoline is sourced from PubChem (CID 22290968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).