2,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine

C16H20N2O2 — CID 63351751

IUPAC2,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESCOc1cc2nc3c(c(N)c2cc1OC)CCCCC3
InChIInChI=1S/C16H20N2O2/c1-19-14-8-11-13(9-15(14)20-2)18-12-7-5-3-4-6-10(12)16(11)17/h8-9H,3-7H2,1-2H3,(H2,17,18)
InChIKeySZLVQPOIBLQDNP-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.10
Rot. Bonds2

About 2,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine

2,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (PubChem CID 63351751) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.

Molecular Properties

Compound Name2,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
PubChem CID63351751
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESCOc1cc2nc3c(c(N)c2cc1OC)CCCCC3
InChIInChI=1S/C16H20N2O2/c1-19-14-8-11-13(9-15(14)20-2)18-12-7-5-3-4-6-10(12)16(11)17/h8-9H,3-7H2,1-2H3,(H2,17,18)
InChIKeySZLVQPOIBLQDNP-UHFFFAOYSA-N
XLogP3.10
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The IUPAC name of 2,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (CID 63351751) is 2,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.
What is the SMILES notation for 2,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The canonical SMILES for 2,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is COc1cc2nc3c(c(N)c2cc1OC)CCCCC3.
What is the InChIKey of 2,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The InChIKey is SZLVQPOIBLQDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-19-14-8-11-13(9-15(14)20-2)18-12-7-5-3-4-6-10(12)16(11)17/h8-9H,3-7H2,1-2H3,(H2,17,18).
What are the key properties of 2,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
2,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine has a molecular weight of 272.35 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is sourced from PubChem (CID 63351751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).