6-bromo-4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline

C11H12BrNO — CID 169499400

IUPAC6-bromo-4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline
SMILESCOc1cc(Br)cc2c1NCC1CC21
InChIInChI=1S/C11H12BrNO/c1-14-10-4-7(12)3-9-8-2-6(8)5-13-11(9)10/h3-4,6,8,13H,2,5H2,1H3
InChIKeyKXOYYRGMAXCKEF-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.99
Rot. Bonds1

About 6-bromo-4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline

6-bromo-4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline (PubChem CID 169499400) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 6-bromo-4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline.

Molecular Properties

Compound Name6-bromo-4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline
PubChem CID169499400
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name6-bromo-4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline
SMILESCOc1cc(Br)cc2c1NCC1CC21
InChIInChI=1S/C11H12BrNO/c1-14-10-4-7(12)3-9-8-2-6(8)5-13-11(9)10/h3-4,6,8,13H,2,5H2,1H3
InChIKeyKXOYYRGMAXCKEF-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline?
The IUPAC name of 6-bromo-4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline (CID 169499400) is 6-bromo-4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline.
What is the SMILES notation for 6-bromo-4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline?
The canonical SMILES for 6-bromo-4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline is COc1cc(Br)cc2c1NCC1CC21.
What is the InChIKey of 6-bromo-4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline?
The InChIKey is KXOYYRGMAXCKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-14-10-4-7(12)3-9-8-2-6(8)5-13-11(9)10/h3-4,6,8,13H,2,5H2,1H3.
What are the key properties of 6-bromo-4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline?
6-bromo-4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline has a molecular weight of 254.13 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methoxy-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline is sourced from PubChem (CID 169499400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).