1-chloro-N-(thiophen-2-ylmethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine

C19H19ClN2S — CID 11759669

IUPAC1-chloro-N-(thiophen-2-ylmethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESClc1cccc2nc3c(c(NCc4cccs4)c12)CCCCC3
InChIInChI=1S/C19H19ClN2S/c20-15-8-4-10-17-18(15)19(21-12-13-6-5-11-23-13)14-7-2-1-3-9-16(14)22-17/h4-6,8,10-11H,1-3,7,9,12H2,(H,21,22)
InChIKeyAEVKUCQAIHQSCM-UHFFFAOYSA-N
MW342.89 g/mol
LogP5.83
Rot. Bonds3

About 1-chloro-N-(thiophen-2-ylmethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine

1-chloro-N-(thiophen-2-ylmethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (PubChem CID 11759669) has the molecular formula C19H19ClN2S and a molecular weight of 342.89 g/mol. Its IUPAC name is 1-chloro-N-(thiophen-2-ylmethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.

Molecular Properties

Compound Name1-chloro-N-(thiophen-2-ylmethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
PubChem CID11759669
Molecular FormulaC19H19ClN2S
Molecular Weight342.89 g/mol
Exact Mass342.10
IUPAC Name1-chloro-N-(thiophen-2-ylmethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESClc1cccc2nc3c(c(NCc4cccs4)c12)CCCCC3
InChIInChI=1S/C19H19ClN2S/c20-15-8-4-10-17-18(15)19(21-12-13-6-5-11-23-13)14-7-2-1-3-9-16(14)22-17/h4-6,8,10-11H,1-3,7,9,12H2,(H,21,22)
InChIKeyAEVKUCQAIHQSCM-UHFFFAOYSA-N
XLogP5.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.89
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(thiophen-2-ylmethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The IUPAC name of 1-chloro-N-(thiophen-2-ylmethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (CID 11759669) is 1-chloro-N-(thiophen-2-ylmethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.
What is the SMILES notation for 1-chloro-N-(thiophen-2-ylmethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The canonical SMILES for 1-chloro-N-(thiophen-2-ylmethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is Clc1cccc2nc3c(c(NCc4cccs4)c12)CCCCC3.
What is the InChIKey of 1-chloro-N-(thiophen-2-ylmethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The InChIKey is AEVKUCQAIHQSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2S/c20-15-8-4-10-17-18(15)19(21-12-13-6-5-11-23-13)14-7-2-1-3-9-16(14)22-17/h4-6,8,10-11H,1-3,7,9,12H2,(H,21,22).
What are the key properties of 1-chloro-N-(thiophen-2-ylmethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
1-chloro-N-(thiophen-2-ylmethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine has a molecular weight of 342.89 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(thiophen-2-ylmethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is sourced from PubChem (CID 11759669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).