2-(bromomethyl)-4,8-dimethyl-2,3-dihydrofuro[3,2-c]quinoline

C14H14BrNO — CID 3123578

IUPAC2-(bromomethyl)-4,8-dimethyl-2,3-dihydrofuro[3,2-c]quinoline
SMILESCc1ccc2nc(C)c3c(c2c1)OC(CBr)C3
InChIInChI=1S/C14H14BrNO/c1-8-3-4-13-12(5-8)14-11(9(2)16-13)6-10(7-15)17-14/h3-5,10H,6-7H2,1-2H3
InChIKeyKGUZMVPUAIRYQR-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.55
Rot. Bonds1

About 2-(bromomethyl)-4,8-dimethyl-2,3-dihydrofuro[3,2-c]quinoline

2-(bromomethyl)-4,8-dimethyl-2,3-dihydrofuro[3,2-c]quinoline (PubChem CID 3123578) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 2-(bromomethyl)-4,8-dimethyl-2,3-dihydrofuro[3,2-c]quinoline.

Molecular Properties

Compound Name2-(bromomethyl)-4,8-dimethyl-2,3-dihydrofuro[3,2-c]quinoline
PubChem CID3123578
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name2-(bromomethyl)-4,8-dimethyl-2,3-dihydrofuro[3,2-c]quinoline
SMILESCc1ccc2nc(C)c3c(c2c1)OC(CBr)C3
InChIInChI=1S/C14H14BrNO/c1-8-3-4-13-12(5-8)14-11(9(2)16-13)6-10(7-15)17-14/h3-5,10H,6-7H2,1-2H3
InChIKeyKGUZMVPUAIRYQR-UHFFFAOYSA-N
XLogP3.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(bromomethyl)-4,8-dimethyl-2,3-dihydrofuro[3,2-c]quinoline?
The IUPAC name of 2-(bromomethyl)-4,8-dimethyl-2,3-dihydrofuro[3,2-c]quinoline (CID 3123578) is 2-(bromomethyl)-4,8-dimethyl-2,3-dihydrofuro[3,2-c]quinoline.
What is the SMILES notation for 2-(bromomethyl)-4,8-dimethyl-2,3-dihydrofuro[3,2-c]quinoline?
The canonical SMILES for 2-(bromomethyl)-4,8-dimethyl-2,3-dihydrofuro[3,2-c]quinoline is Cc1ccc2nc(C)c3c(c2c1)OC(CBr)C3.
What is the InChIKey of 2-(bromomethyl)-4,8-dimethyl-2,3-dihydrofuro[3,2-c]quinoline?
The InChIKey is KGUZMVPUAIRYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-8-3-4-13-12(5-8)14-11(9(2)16-13)6-10(7-15)17-14/h3-5,10H,6-7H2,1-2H3.
What are the key properties of 2-(bromomethyl)-4,8-dimethyl-2,3-dihydrofuro[3,2-c]quinoline?
2-(bromomethyl)-4,8-dimethyl-2,3-dihydrofuro[3,2-c]quinoline has a molecular weight of 292.18 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4,8-dimethyl-2,3-dihydrofuro[3,2-c]quinoline is sourced from PubChem (CID 3123578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).