3-benzyl-6-bromo-4-chloro-2-methoxyquinoline

C17H13BrClNO — CID 59766854

IUPAC3-benzyl-6-bromo-4-chloro-2-methoxyquinoline
SMILESCOc1nc2ccc(Br)cc2c(Cl)c1Cc1ccccc1
InChIInChI=1S/C17H13BrClNO/c1-21-17-14(9-11-5-3-2-4-6-11)16(19)13-10-12(18)7-8-15(13)20-17/h2-8,10H,9H2,1H3
InChIKeySIODFJHFBWLOKV-UHFFFAOYSA-N
MW362.65 g/mol
LogP5.25
Rot. Bonds3

About 3-benzyl-6-bromo-4-chloro-2-methoxyquinoline

3-benzyl-6-bromo-4-chloro-2-methoxyquinoline (PubChem CID 59766854) has the molecular formula C17H13BrClNO and a molecular weight of 362.65 g/mol. Its IUPAC name is 3-benzyl-6-bromo-4-chloro-2-methoxyquinoline.

Molecular Properties

Compound Name3-benzyl-6-bromo-4-chloro-2-methoxyquinoline
PubChem CID59766854
Molecular FormulaC17H13BrClNO
Molecular Weight362.65 g/mol
Exact Mass360.99
IUPAC Name3-benzyl-6-bromo-4-chloro-2-methoxyquinoline
SMILESCOc1nc2ccc(Br)cc2c(Cl)c1Cc1ccccc1
InChIInChI=1S/C17H13BrClNO/c1-21-17-14(9-11-5-3-2-4-6-11)16(19)13-10-12(18)7-8-15(13)20-17/h2-8,10H,9H2,1H3
InChIKeySIODFJHFBWLOKV-UHFFFAOYSA-N
XLogP5.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-4-chloro-2-methoxy-3-(2-methylpropyl)quinoline
CID 118022089
(6-bromo-4-chloro-2-methoxyquinolin-3-yl)methoxy-tri(propan-2-yl)silane
CID 123485495
6-bromo-3-[(4-bromophenyl)sulfonylmethyl]-4-chloro-2-methoxyquinoline
CID 138637241
6-bromo-4-chloro-3-[(4,4-difluorocyclohexyl)methyl]-2-methoxyquinoline
CID 118021557
3-benzyl-5-bromo-2H-indazole
CID 66915538
2-benzyl-5-bromo-4,6-dimethoxypyrimidine
CID 165347996
ethyl 2-[[(6-bromo-4-chloro-2-methoxyquinolin-3-yl)-phenylmethyl]-methylamino]acetate
CID 59766858
4-chloro-6-(2,3-dimethylimidazol-4-yl)-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline
CID 118013611
6-bromo-2-(2-chlorophenyl)-N-methylquinazolin-4-amine
CID 64981527
ethyl 2-(benzylamino)-6-bromo-4-chloroquinoline-3-carboxylate;ethyl 6-bromo-2,4-dichloroquinoline-3-carboxylate
CID 158248552
6-bromo-4-chloro-N,N-diethyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-2-amine
CID 86715626
[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-bis(1,2,5-trimethylimidazol-4-yl)methanol
CID 90102948

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-bromo-4-chloro-2-methoxyquinoline?
The IUPAC name of 3-benzyl-6-bromo-4-chloro-2-methoxyquinoline (CID 59766854) is 3-benzyl-6-bromo-4-chloro-2-methoxyquinoline.
What is the SMILES notation for 3-benzyl-6-bromo-4-chloro-2-methoxyquinoline?
The canonical SMILES for 3-benzyl-6-bromo-4-chloro-2-methoxyquinoline is COc1nc2ccc(Br)cc2c(Cl)c1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-bromo-4-chloro-2-methoxyquinoline?
The InChIKey is SIODFJHFBWLOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClNO/c1-21-17-14(9-11-5-3-2-4-6-11)16(19)13-10-12(18)7-8-15(13)20-17/h2-8,10H,9H2,1H3.
What are the key properties of 3-benzyl-6-bromo-4-chloro-2-methoxyquinoline?
3-benzyl-6-bromo-4-chloro-2-methoxyquinoline has a molecular weight of 362.65 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-bromo-4-chloro-2-methoxyquinoline is sourced from PubChem (CID 59766854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).