1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine

C14H15ClN2 — CID 12051103

IUPAC1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESNc1c2c(nc3cccc(Cl)c13)CCCCC2
InChIInChI=1S/C14H15ClN2/c15-10-6-4-8-12-13(10)14(16)9-5-2-1-3-7-11(9)17-12/h4,6,8H,1-3,5,7H2,(H2,16,17)
InChIKeyKAAAIHLOSOSBCH-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.74
Rot. Bonds

About 1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine

1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (PubChem CID 12051103) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.

Molecular Properties

Compound Name1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
PubChem CID12051103
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESNc1c2c(nc3cccc(Cl)c13)CCCCC2
InChIInChI=1S/C14H15ClN2/c15-10-6-4-8-12-13(10)14(16)9-5-2-1-3-7-11(9)17-12/h4,6,8H,1-3,5,7H2,(H2,16,17)
InChIKeyKAAAIHLOSOSBCH-UHFFFAOYSA-N
XLogP3.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The IUPAC name of 1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (CID 12051103) is 1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.
What is the SMILES notation for 1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The canonical SMILES for 1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is Nc1c2c(nc3cccc(Cl)c13)CCCCC2.
What is the InChIKey of 1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The InChIKey is KAAAIHLOSOSBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c15-10-6-4-8-12-13(10)14(16)9-5-2-1-3-7-11(9)17-12/h4,6,8H,1-3,5,7H2,(H2,16,17).
What are the key properties of 1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine has a molecular weight of 246.74 g/mol, XLogP of 3.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is sourced from PubChem (CID 12051103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).