4,11-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline

C14H12Cl2FN — CID 55186753

IUPAC4,11-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
SMILESFc1cc(Cl)c2nc3c(c(Cl)c2c1)CCCCC3
InChIInChI=1S/C14H12Cl2FN/c15-11-7-8(17)6-10-13(16)9-4-2-1-3-5-12(9)18-14(10)11/h6-7H,1-5H2
InChIKeyYXWYINSUNVCDEP-UHFFFAOYSA-N
MW284.16 g/mol
LogP4.95
Rot. Bonds

About 4,11-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline

4,11-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline (PubChem CID 55186753) has the molecular formula C14H12Cl2FN and a molecular weight of 284.16 g/mol. Its IUPAC name is 4,11-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline.

Molecular Properties

Compound Name4,11-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
PubChem CID55186753
Molecular FormulaC14H12Cl2FN
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name4,11-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
SMILESFc1cc(Cl)c2nc3c(c(Cl)c2c1)CCCCC3
InChIInChI=1S/C14H12Cl2FN/c15-11-7-8(17)6-10-13(16)9-4-2-1-3-5-12(9)18-14(10)11/h6-7H,1-5H2
InChIKeyYXWYINSUNVCDEP-UHFFFAOYSA-N
XLogP4.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,11-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The IUPAC name of 4,11-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline (CID 55186753) is 4,11-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline.
What is the SMILES notation for 4,11-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The canonical SMILES for 4,11-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline is Fc1cc(Cl)c2nc3c(c(Cl)c2c1)CCCCC3.
What is the InChIKey of 4,11-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The InChIKey is YXWYINSUNVCDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN/c15-11-7-8(17)6-10-13(16)9-4-2-1-3-5-12(9)18-14(10)11/h6-7H,1-5H2.
What are the key properties of 4,11-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
4,11-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline has a molecular weight of 284.16 g/mol, XLogP of 4.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline is sourced from PubChem (CID 55186753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).