4,7-dichloro-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline

C10H9Cl2N — CID 169499467

IUPAC4,7-dichloro-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline
SMILESClc1ccc(Cl)c2c1NCC1CC21
InChIInChI=1S/C10H9Cl2N/c11-7-1-2-8(12)10-9(7)6-3-5(6)4-13-10/h1-2,5-6,13H,3-4H2
InChIKeyVFMPJYXMIMXGDL-UHFFFAOYSA-N
MW214.09 g/mol
LogP3.52
Rot. Bonds

About 4,7-dichloro-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline

4,7-dichloro-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline (PubChem CID 169499467) has the molecular formula C10H9Cl2N and a molecular weight of 214.09 g/mol. Its IUPAC name is 4,7-dichloro-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline.

Molecular Properties

Compound Name4,7-dichloro-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline
PubChem CID169499467
Molecular FormulaC10H9Cl2N
Molecular Weight214.09 g/mol
Exact Mass213.01
IUPAC Name4,7-dichloro-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline
SMILESClc1ccc(Cl)c2c1NCC1CC21
InChIInChI=1S/C10H9Cl2N/c11-7-1-2-8(12)10-9(7)6-3-5(6)4-13-10/h1-2,5-6,13H,3-4H2
InChIKeyVFMPJYXMIMXGDL-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline?
The IUPAC name of 4,7-dichloro-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline (CID 169499467) is 4,7-dichloro-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline.
What is the SMILES notation for 4,7-dichloro-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline?
The canonical SMILES for 4,7-dichloro-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline is Clc1ccc(Cl)c2c1NCC1CC21.
What is the InChIKey of 4,7-dichloro-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline?
The InChIKey is VFMPJYXMIMXGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N/c11-7-1-2-8(12)10-9(7)6-3-5(6)4-13-10/h1-2,5-6,13H,3-4H2.
What are the key properties of 4,7-dichloro-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline?
4,7-dichloro-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline has a molecular weight of 214.09 g/mol, XLogP of 3.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline is sourced from PubChem (CID 169499467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).