6-bromo-5-chloro-2-(3-fluorophenyl)-8-methoxy-1,2,3,4-tetrahydroquinoline

C16H14BrClFNO — CID 132589965

IUPAC6-bromo-5-chloro-2-(3-fluorophenyl)-8-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc(Br)c(Cl)c2c1NC(c1cccc(F)c1)CC2
InChIInChI=1S/C16H14BrClFNO/c1-21-14-8-12(17)15(18)11-5-6-13(20-16(11)14)9-3-2-4-10(19)7-9/h2-4,7-8,13,20H,5-6H2,1H3
InChIKeyAUTPQUFACSKIKJ-UHFFFAOYSA-N
MW370.65 g/mol
LogP5.35
Rot. Bonds2

About 6-bromo-5-chloro-2-(3-fluorophenyl)-8-methoxy-1,2,3,4-tetrahydroquinoline

6-bromo-5-chloro-2-(3-fluorophenyl)-8-methoxy-1,2,3,4-tetrahydroquinoline (PubChem CID 132589965) has the molecular formula C16H14BrClFNO and a molecular weight of 370.65 g/mol. Its IUPAC name is 6-bromo-5-chloro-2-(3-fluorophenyl)-8-methoxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-bromo-5-chloro-2-(3-fluorophenyl)-8-methoxy-1,2,3,4-tetrahydroquinoline
PubChem CID132589965
Molecular FormulaC16H14BrClFNO
Molecular Weight370.65 g/mol
Exact Mass368.99
IUPAC Name6-bromo-5-chloro-2-(3-fluorophenyl)-8-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc(Br)c(Cl)c2c1NC(c1cccc(F)c1)CC2
InChIInChI=1S/C16H14BrClFNO/c1-21-14-8-12(17)15(18)11-5-6-13(20-16(11)14)9-3-2-4-10(19)7-9/h2-4,7-8,13,20H,5-6H2,1H3
InChIKeyAUTPQUFACSKIKJ-UHFFFAOYSA-N
XLogP5.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.65
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-5-chloro-8-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 132589531
6-bromo-5,8-difluoro-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline
CID 132589821
6-bromo-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline
CID 132589767
8-bromo-6-chloro-2-(3-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 132589830
1-(3-fluorophenyl)-4-methoxy-2,3-dihydro-1H-isoindole
CID 84737135
(5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one
CID 95369037
(4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one
CID 130642910
methyl 4-(3-fluorophenyl)azetidine-2-carboxylate
CID 105462660
tert-butyl 6-bromo-5-chloro-8-methoxy-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132589532
tert-butyl 6-bromo-5-chloro-2-(2-fluorophenyl)-8-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132589985
3-(3-fluorophenyl)-1-methylpyrazolidine
CID 163747853
N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-3,4-dimethoxybenzamide
CID 133239194

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-chloro-2-(3-fluorophenyl)-8-methoxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-bromo-5-chloro-2-(3-fluorophenyl)-8-methoxy-1,2,3,4-tetrahydroquinoline (CID 132589965) is 6-bromo-5-chloro-2-(3-fluorophenyl)-8-methoxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-bromo-5-chloro-2-(3-fluorophenyl)-8-methoxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-bromo-5-chloro-2-(3-fluorophenyl)-8-methoxy-1,2,3,4-tetrahydroquinoline is COc1cc(Br)c(Cl)c2c1NC(c1cccc(F)c1)CC2.
What is the InChIKey of 6-bromo-5-chloro-2-(3-fluorophenyl)-8-methoxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is AUTPQUFACSKIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO/c1-21-14-8-12(17)15(18)11-5-6-13(20-16(11)14)9-3-2-4-10(19)7-9/h2-4,7-8,13,20H,5-6H2,1H3.
What are the key properties of 6-bromo-5-chloro-2-(3-fluorophenyl)-8-methoxy-1,2,3,4-tetrahydroquinoline?
6-bromo-5-chloro-2-(3-fluorophenyl)-8-methoxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 370.65 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-chloro-2-(3-fluorophenyl)-8-methoxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 132589965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).