3-bromo-2,2,7,9-tetramethyl-3,4-dihydropyrano[2,3-g]quinolin-4-ol

C16H18BrNO2 — CID 59134412

IUPAC3-bromo-2,2,7,9-tetramethyl-3,4-dihydropyrano[2,3-g]quinolin-4-ol
SMILESCc1cc(C)c2cc3c(cc2n1)C(O)C(Br)C(C)(C)O3
InChIInChI=1S/C16H18BrNO2/c1-8-5-9(2)18-12-6-11-13(7-10(8)12)20-16(3,4)15(17)14(11)19/h5-7,14-15,19H,1-4H3
InChIKeyJWBJDRBMPWFJIT-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.82
Rot. Bonds

About 3-bromo-2,2,7,9-tetramethyl-3,4-dihydropyrano[2,3-g]quinolin-4-ol

3-bromo-2,2,7,9-tetramethyl-3,4-dihydropyrano[2,3-g]quinolin-4-ol (PubChem CID 59134412) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 3-bromo-2,2,7,9-tetramethyl-3,4-dihydropyrano[2,3-g]quinolin-4-ol.

Molecular Properties

Compound Name3-bromo-2,2,7,9-tetramethyl-3,4-dihydropyrano[2,3-g]quinolin-4-ol
PubChem CID59134412
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name3-bromo-2,2,7,9-tetramethyl-3,4-dihydropyrano[2,3-g]quinolin-4-ol
SMILESCc1cc(C)c2cc3c(cc2n1)C(O)C(Br)C(C)(C)O3
InChIInChI=1S/C16H18BrNO2/c1-8-5-9(2)18-12-6-11-13(7-10(8)12)20-16(3,4)15(17)14(11)19/h5-7,14-15,19H,1-4H3
InChIKeyJWBJDRBMPWFJIT-UHFFFAOYSA-N
XLogP3.82
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,2,7,9-tetramethyl-3,4-dihydropyrano[2,3-g]quinolin-4-ol?
The IUPAC name of 3-bromo-2,2,7,9-tetramethyl-3,4-dihydropyrano[2,3-g]quinolin-4-ol (CID 59134412) is 3-bromo-2,2,7,9-tetramethyl-3,4-dihydropyrano[2,3-g]quinolin-4-ol.
What is the SMILES notation for 3-bromo-2,2,7,9-tetramethyl-3,4-dihydropyrano[2,3-g]quinolin-4-ol?
The canonical SMILES for 3-bromo-2,2,7,9-tetramethyl-3,4-dihydropyrano[2,3-g]quinolin-4-ol is Cc1cc(C)c2cc3c(cc2n1)C(O)C(Br)C(C)(C)O3.
What is the InChIKey of 3-bromo-2,2,7,9-tetramethyl-3,4-dihydropyrano[2,3-g]quinolin-4-ol?
The InChIKey is JWBJDRBMPWFJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-8-5-9(2)18-12-6-11-13(7-10(8)12)20-16(3,4)15(17)14(11)19/h5-7,14-15,19H,1-4H3.
What are the key properties of 3-bromo-2,2,7,9-tetramethyl-3,4-dihydropyrano[2,3-g]quinolin-4-ol?
3-bromo-2,2,7,9-tetramethyl-3,4-dihydropyrano[2,3-g]quinolin-4-ol has a molecular weight of 336.23 g/mol, XLogP of 3.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,2,7,9-tetramethyl-3,4-dihydropyrano[2,3-g]quinolin-4-ol is sourced from PubChem (CID 59134412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).