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

C14H16Cl2N2 — CID 164615958

IUPAC1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride
SMILESCl.Nc1c2c(nc3cccc(Cl)c13)CCCCC2
InChIInChI=1S/C14H15ClN2.ClH/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);1H
InChIKeyWQYOYZUMTFYYND-UHFFFAOYSA-N
MW283.20 g/mol
LogP4.16
Rot. Bonds

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

1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride (PubChem CID 164615958) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride.

Molecular Properties

Compound Name1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride
PubChem CID164615958
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride
SMILESCl.Nc1c2c(nc3cccc(Cl)c13)CCCCC2
InChIInChI=1S/C14H15ClN2.ClH/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);1H
InChIKeyWQYOYZUMTFYYND-UHFFFAOYSA-N
XLogP4.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 54.16
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;hydrochloride?
The IUPAC name of 1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride (CID 164615958) is 1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride.
What is the SMILES notation for 1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride?
The canonical SMILES for 1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride is Cl.Nc1c2c(nc3cccc(Cl)c13)CCCCC2.
What is the InChIKey of 1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride?
The InChIKey is WQYOYZUMTFYYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2.ClH/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);1H.
What are the key properties of 1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride?
1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride has a molecular weight of 283.20 g/mol, XLogP of 4.16, 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;hydrochloride is sourced from PubChem (CID 164615958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).