2-(3-bromophenyl)-6-fluoro-4,4,8-trimethyl-2,3-dihydro-1H-quinoline

C18H19BrFN — CID 67290535

IUPAC2-(3-bromophenyl)-6-fluoro-4,4,8-trimethyl-2,3-dihydro-1H-quinoline
SMILESCc1cc(F)cc2c1NC(c1cccc(Br)c1)CC2(C)C
InChIInChI=1S/C18H19BrFN/c1-11-7-14(20)9-15-17(11)21-16(10-18(15,2)3)12-5-4-6-13(19)8-12/h4-9,16,21H,10H2,1-3H3
InChIKeyVUNDNPYACKAHCO-UHFFFAOYSA-N
MW348.26 g/mol
LogP5.73
Rot. Bonds1

About 2-(3-bromophenyl)-6-fluoro-4,4,8-trimethyl-2,3-dihydro-1H-quinoline

2-(3-bromophenyl)-6-fluoro-4,4,8-trimethyl-2,3-dihydro-1H-quinoline (PubChem CID 67290535) has the molecular formula C18H19BrFN and a molecular weight of 348.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6-fluoro-4,4,8-trimethyl-2,3-dihydro-1H-quinoline.

Molecular Properties

Compound Name2-(3-bromophenyl)-6-fluoro-4,4,8-trimethyl-2,3-dihydro-1H-quinoline
PubChem CID67290535
Molecular FormulaC18H19BrFN
Molecular Weight348.26 g/mol
Exact Mass347.07
IUPAC Name2-(3-bromophenyl)-6-fluoro-4,4,8-trimethyl-2,3-dihydro-1H-quinoline
SMILESCc1cc(F)cc2c1NC(c1cccc(Br)c1)CC2(C)C
InChIInChI=1S/C18H19BrFN/c1-11-7-14(20)9-15-17(11)21-16(10-18(15,2)3)12-5-4-6-13(19)8-12/h4-9,16,21H,10H2,1-3H3
InChIKeyVUNDNPYACKAHCO-UHFFFAOYSA-N
XLogP5.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.26
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-6-fluoro-4,4,8-trimethyl-2,3-dihydro-1H-quinoline?
The IUPAC name of 2-(3-bromophenyl)-6-fluoro-4,4,8-trimethyl-2,3-dihydro-1H-quinoline (CID 67290535) is 2-(3-bromophenyl)-6-fluoro-4,4,8-trimethyl-2,3-dihydro-1H-quinoline.
What is the SMILES notation for 2-(3-bromophenyl)-6-fluoro-4,4,8-trimethyl-2,3-dihydro-1H-quinoline?
The canonical SMILES for 2-(3-bromophenyl)-6-fluoro-4,4,8-trimethyl-2,3-dihydro-1H-quinoline is Cc1cc(F)cc2c1NC(c1cccc(Br)c1)CC2(C)C.
What is the InChIKey of 2-(3-bromophenyl)-6-fluoro-4,4,8-trimethyl-2,3-dihydro-1H-quinoline?
The InChIKey is VUNDNPYACKAHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN/c1-11-7-14(20)9-15-17(11)21-16(10-18(15,2)3)12-5-4-6-13(19)8-12/h4-9,16,21H,10H2,1-3H3.
What are the key properties of 2-(3-bromophenyl)-6-fluoro-4,4,8-trimethyl-2,3-dihydro-1H-quinoline?
2-(3-bromophenyl)-6-fluoro-4,4,8-trimethyl-2,3-dihydro-1H-quinoline has a molecular weight of 348.26 g/mol, XLogP of 5.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-6-fluoro-4,4,8-trimethyl-2,3-dihydro-1H-quinoline is sourced from PubChem (CID 67290535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).