8-methyl-3-propyl-8H-cyclohepta[b]quinoline

C18H19N — CID 170240973

IUPAC8-methyl-3-propyl-8H-cyclohepta[b]quinoline
SMILESCCCc1ccc2cc3c(nc2c1)C=CC(C)C=C3
InChIInChI=1S/C18H19N/c1-3-4-14-7-9-16-12-15-8-5-13(2)6-10-17(15)19-18(16)11-14/h5-13H,3-4H2,1-2H3
InChIKeyUAOCVNZBRJUGAU-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.86
Rot. Bonds2

About 8-methyl-3-propyl-8H-cyclohepta[b]quinoline

8-methyl-3-propyl-8H-cyclohepta[b]quinoline (PubChem CID 170240973) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 8-methyl-3-propyl-8H-cyclohepta[b]quinoline.

Molecular Properties

Compound Name8-methyl-3-propyl-8H-cyclohepta[b]quinoline
PubChem CID170240973
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name8-methyl-3-propyl-8H-cyclohepta[b]quinoline
SMILESCCCc1ccc2cc3c(nc2c1)C=CC(C)C=C3
InChIInChI=1S/C18H19N/c1-3-4-14-7-9-16-12-15-8-5-13(2)6-10-17(15)19-18(16)11-14/h5-13H,3-4H2,1-2H3
InChIKeyUAOCVNZBRJUGAU-UHFFFAOYSA-N
XLogP4.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-propyl-8H-cyclohepta[b]quinoline?
The IUPAC name of 8-methyl-3-propyl-8H-cyclohepta[b]quinoline (CID 170240973) is 8-methyl-3-propyl-8H-cyclohepta[b]quinoline.
What is the SMILES notation for 8-methyl-3-propyl-8H-cyclohepta[b]quinoline?
The canonical SMILES for 8-methyl-3-propyl-8H-cyclohepta[b]quinoline is CCCc1ccc2cc3c(nc2c1)C=CC(C)C=C3.
What is the InChIKey of 8-methyl-3-propyl-8H-cyclohepta[b]quinoline?
The InChIKey is UAOCVNZBRJUGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-3-4-14-7-9-16-12-15-8-5-13(2)6-10-17(15)19-18(16)11-14/h5-13H,3-4H2,1-2H3.
What are the key properties of 8-methyl-3-propyl-8H-cyclohepta[b]quinoline?
8-methyl-3-propyl-8H-cyclohepta[b]quinoline has a molecular weight of 249.36 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-propyl-8H-cyclohepta[b]quinoline is sourced from PubChem (CID 170240973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).