3-bromoquinoline;3-[(2-methoxyphenyl)methyl]quinoline

C26H21BrN2O — CID 160741942

IUPAC3-bromoquinoline;3-[(2-methoxyphenyl)methyl]quinoline
SMILESBrc1cnc2ccccc2c1.COc1ccccc1Cc1cnc2ccccc2c1
InChIInChI=1S/C17H15NO.C9H6BrN/c1-19-17-9-5-3-7-15(17)11-13-10-14-6-2-4-8-16(14)18-12-13;10-8-5-7-3-1-2-4-9(7)11-6-8/h2-10,12H,11H2,1H3;1-6H
InChIKeyRVRVIXOSXWIZGE-UHFFFAOYSA-N
MW457.37 g/mol
LogP6.83
Rot. Bonds3

About 3-bromoquinoline;3-[(2-methoxyphenyl)methyl]quinoline

3-bromoquinoline;3-[(2-methoxyphenyl)methyl]quinoline (PubChem CID 160741942) has the molecular formula C26H21BrN2O and a molecular weight of 457.37 g/mol. Its IUPAC name is 3-bromoquinoline;3-[(2-methoxyphenyl)methyl]quinoline.

Molecular Properties

Compound Name3-bromoquinoline;3-[(2-methoxyphenyl)methyl]quinoline
PubChem CID160741942
Molecular FormulaC26H21BrN2O
Molecular Weight457.37 g/mol
Exact Mass456.08
IUPAC Name3-bromoquinoline;3-[(2-methoxyphenyl)methyl]quinoline
SMILESBrc1cnc2ccccc2c1.COc1ccccc1Cc1cnc2ccccc2c1
InChIInChI=1S/C17H15NO.C9H6BrN/c1-19-17-9-5-3-7-15(17)11-13-10-14-6-2-4-8-16(14)18-12-13;10-8-5-7-3-1-2-4-9(7)11-6-8/h2-10,12H,11H2,1H3;1-6H
InChIKeyRVRVIXOSXWIZGE-UHFFFAOYSA-N
XLogP6.83
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.37
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline
CID 74539265
3-bromoquinoline;hydrobromide
CID 70190019
3-[(4-bromophenyl)methyl]quinoline
CID 67155836
6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline;methane
CID 159414257
1,3-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline
CID 174699527
[2-[(2-methoxyphenyl)methyl]pyrimidin-5-yl]methanol
CID 62757708
5-(chloromethyl)-2-[(2-methoxyphenyl)methyl]pyrimidine
CID 55114023
1-bromo-2-[(2-methoxyphenyl)methyl]benzene
CID 165410095
3-bromo-7-methoxyquinoline
CID 18788548
3-(2-methylpropyl)quinoline
CID 12072851
3-[(2-methoxyphenyl)methyl]-N-methylaniline
CID 116925940
6-bromo-3-[(2-methoxyphenyl)methyl]imidazo[1,5-a]pyridine
CID 117139633

Frequently Asked Questions

What is the IUPAC name of 3-bromoquinoline;3-[(2-methoxyphenyl)methyl]quinoline?
The IUPAC name of 3-bromoquinoline;3-[(2-methoxyphenyl)methyl]quinoline (CID 160741942) is 3-bromoquinoline;3-[(2-methoxyphenyl)methyl]quinoline.
What is the SMILES notation for 3-bromoquinoline;3-[(2-methoxyphenyl)methyl]quinoline?
The canonical SMILES for 3-bromoquinoline;3-[(2-methoxyphenyl)methyl]quinoline is Brc1cnc2ccccc2c1.COc1ccccc1Cc1cnc2ccccc2c1.
What is the InChIKey of 3-bromoquinoline;3-[(2-methoxyphenyl)methyl]quinoline?
The InChIKey is RVRVIXOSXWIZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO.C9H6BrN/c1-19-17-9-5-3-7-15(17)11-13-10-14-6-2-4-8-16(14)18-12-13;10-8-5-7-3-1-2-4-9(7)11-6-8/h2-10,12H,11H2,1H3;1-6H.
What are the key properties of 3-bromoquinoline;3-[(2-methoxyphenyl)methyl]quinoline?
3-bromoquinoline;3-[(2-methoxyphenyl)methyl]quinoline has a molecular weight of 457.37 g/mol, XLogP of 6.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoquinoline;3-[(2-methoxyphenyl)methyl]quinoline is sourced from PubChem (CID 160741942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).