6-bromo-N,7-dimethyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine

C14H15BrN2O — CID 106473322

IUPAC6-bromo-N,7-dimethyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
SMILESCNc1c2c(nc3c(Br)c(C)ccc13)CCOC2
InChIInChI=1S/C14H15BrN2O/c1-8-3-4-9-13(16-2)10-7-18-6-5-11(10)17-14(9)12(8)15/h3-4H,5-7H2,1-2H3,(H,16,17)
InChIKeyZPPDLYWJPHUMAR-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.42
Rot. Bonds1

About 6-bromo-N,7-dimethyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine

6-bromo-N,7-dimethyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine (PubChem CID 106473322) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 6-bromo-N,7-dimethyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine.

Molecular Properties

Compound Name6-bromo-N,7-dimethyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
PubChem CID106473322
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name6-bromo-N,7-dimethyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
SMILESCNc1c2c(nc3c(Br)c(C)ccc13)CCOC2
InChIInChI=1S/C14H15BrN2O/c1-8-3-4-9-13(16-2)10-7-18-6-5-11(10)17-14(9)12(8)15/h3-4H,5-7H2,1-2H3,(H,16,17)
InChIKeyZPPDLYWJPHUMAR-UHFFFAOYSA-N
XLogP3.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,7-dimethyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine?
The IUPAC name of 6-bromo-N,7-dimethyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine (CID 106473322) is 6-bromo-N,7-dimethyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine.
What is the SMILES notation for 6-bromo-N,7-dimethyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine?
The canonical SMILES for 6-bromo-N,7-dimethyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine is CNc1c2c(nc3c(Br)c(C)ccc13)CCOC2.
What is the InChIKey of 6-bromo-N,7-dimethyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine?
The InChIKey is ZPPDLYWJPHUMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-8-3-4-9-13(16-2)10-7-18-6-5-11(10)17-14(9)12(8)15/h3-4H,5-7H2,1-2H3,(H,16,17).
What are the key properties of 6-bromo-N,7-dimethyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine?
6-bromo-N,7-dimethyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine has a molecular weight of 307.19 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,7-dimethyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine is sourced from PubChem (CID 106473322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).