1-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline

C15H17NO — CID 15322530

IUPAC1-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
SMILESCOc1cccc2nc3c(cc12)CCCCC3
InChIInChI=1S/C15H17NO/c1-17-15-9-5-8-14-12(15)10-11-6-3-2-4-7-13(11)16-14/h5,8-10H,2-4,6-7H2,1H3
InChIKeyUKVGWTNJCXNODL-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.51
Rot. Bonds1

About 1-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline

1-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline (PubChem CID 15322530) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline.

Molecular Properties

Compound Name1-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
PubChem CID15322530
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
SMILESCOc1cccc2nc3c(cc12)CCCCC3
InChIInChI=1S/C15H17NO/c1-17-15-9-5-8-14-12(15)10-11-6-3-2-4-7-13(11)16-14/h5,8-10H,2-4,6-7H2,1H3
InChIKeyUKVGWTNJCXNODL-UHFFFAOYSA-N
XLogP3.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The IUPAC name of 1-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline (CID 15322530) is 1-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline.
What is the SMILES notation for 1-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The canonical SMILES for 1-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline is COc1cccc2nc3c(cc12)CCCCC3.
What is the InChIKey of 1-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The InChIKey is UKVGWTNJCXNODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-17-15-9-5-8-14-12(15)10-11-6-3-2-4-7-13(11)16-14/h5,8-10H,2-4,6-7H2,1H3.
What are the key properties of 1-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
1-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline has a molecular weight of 227.31 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline is sourced from PubChem (CID 15322530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).