2-chloro-3-(chloromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline

C14H13Cl2N — CID 63231750

IUPAC2-chloro-3-(chloromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline
SMILESClCc1cc2ccc3c(c2nc1Cl)CCCC3
InChIInChI=1S/C14H13Cl2N/c15-8-11-7-10-6-5-9-3-1-2-4-12(9)13(10)17-14(11)16/h5-7H,1-4,8H2
InChIKeyXERBRYSNDLSXGL-UHFFFAOYSA-N
MW266.17 g/mol
LogP4.51
Rot. Bonds1

About 2-chloro-3-(chloromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline

2-chloro-3-(chloromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline (PubChem CID 63231750) has the molecular formula C14H13Cl2N and a molecular weight of 266.17 g/mol. Its IUPAC name is 2-chloro-3-(chloromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline.

Molecular Properties

Compound Name2-chloro-3-(chloromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline
PubChem CID63231750
Molecular FormulaC14H13Cl2N
Molecular Weight266.17 g/mol
Exact Mass265.04
IUPAC Name2-chloro-3-(chloromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline
SMILESClCc1cc2ccc3c(c2nc1Cl)CCCC3
InChIInChI=1S/C14H13Cl2N/c15-8-11-7-10-6-5-9-3-1-2-4-12(9)13(10)17-14(11)16/h5-7H,1-4,8H2
InChIKeyXERBRYSNDLSXGL-UHFFFAOYSA-N
XLogP4.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(chloromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline?
The IUPAC name of 2-chloro-3-(chloromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline (CID 63231750) is 2-chloro-3-(chloromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline.
What is the SMILES notation for 2-chloro-3-(chloromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline?
The canonical SMILES for 2-chloro-3-(chloromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline is ClCc1cc2ccc3c(c2nc1Cl)CCCC3.
What is the InChIKey of 2-chloro-3-(chloromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline?
The InChIKey is XERBRYSNDLSXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N/c15-8-11-7-10-6-5-9-3-1-2-4-12(9)13(10)17-14(11)16/h5-7H,1-4,8H2.
What are the key properties of 2-chloro-3-(chloromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline?
2-chloro-3-(chloromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline has a molecular weight of 266.17 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(chloromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline is sourced from PubChem (CID 63231750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).