9-chloro-8-methoxy-2,3,4,5-tetrahydro-1H-azepino[2,3-b]quinoline

C14H15ClN2O — CID 84638998

IUPAC9-chloro-8-methoxy-2,3,4,5-tetrahydro-1H-azepino[2,3-b]quinoline
SMILESCOc1cc2cc3c(nc2cc1Cl)NCCCC3
InChIInChI=1S/C14H15ClN2O/c1-18-13-7-10-6-9-4-2-3-5-16-14(9)17-12(10)8-11(13)15/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyHOUDINZGBPTLQU-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.64
Rot. Bonds1

About 9-chloro-8-methoxy-2,3,4,5-tetrahydro-1H-azepino[2,3-b]quinoline

9-chloro-8-methoxy-2,3,4,5-tetrahydro-1H-azepino[2,3-b]quinoline (PubChem CID 84638998) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 9-chloro-8-methoxy-2,3,4,5-tetrahydro-1H-azepino[2,3-b]quinoline.

Molecular Properties

Compound Name9-chloro-8-methoxy-2,3,4,5-tetrahydro-1H-azepino[2,3-b]quinoline
PubChem CID84638998
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name9-chloro-8-methoxy-2,3,4,5-tetrahydro-1H-azepino[2,3-b]quinoline
SMILESCOc1cc2cc3c(nc2cc1Cl)NCCCC3
InChIInChI=1S/C14H15ClN2O/c1-18-13-7-10-6-9-4-2-3-5-16-14(9)17-12(10)8-11(13)15/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyHOUDINZGBPTLQU-UHFFFAOYSA-N
XLogP3.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-8-methoxy-2,3,4,5-tetrahydro-1H-azepino[2,3-b]quinoline?
The IUPAC name of 9-chloro-8-methoxy-2,3,4,5-tetrahydro-1H-azepino[2,3-b]quinoline (CID 84638998) is 9-chloro-8-methoxy-2,3,4,5-tetrahydro-1H-azepino[2,3-b]quinoline.
What is the SMILES notation for 9-chloro-8-methoxy-2,3,4,5-tetrahydro-1H-azepino[2,3-b]quinoline?
The canonical SMILES for 9-chloro-8-methoxy-2,3,4,5-tetrahydro-1H-azepino[2,3-b]quinoline is COc1cc2cc3c(nc2cc1Cl)NCCCC3.
What is the InChIKey of 9-chloro-8-methoxy-2,3,4,5-tetrahydro-1H-azepino[2,3-b]quinoline?
The InChIKey is HOUDINZGBPTLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-18-13-7-10-6-9-4-2-3-5-16-14(9)17-12(10)8-11(13)15/h6-8H,2-5H2,1H3,(H,16,17).
What are the key properties of 9-chloro-8-methoxy-2,3,4,5-tetrahydro-1H-azepino[2,3-b]quinoline?
9-chloro-8-methoxy-2,3,4,5-tetrahydro-1H-azepino[2,3-b]quinoline has a molecular weight of 262.74 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-8-methoxy-2,3,4,5-tetrahydro-1H-azepino[2,3-b]quinoline is sourced from PubChem (CID 84638998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).