6-bromo-2-chloro-8-[ethoxy(phenyl)methyl]-4-phenylquinoline

C24H19BrClNO — CID 147902907

IUPAC6-bromo-2-chloro-8-[ethoxy(phenyl)methyl]-4-phenylquinoline
SMILESCCOC(c1ccccc1)c1cc(Br)cc2c(-c3ccccc3)cc(Cl)nc12
InChIInChI=1S/C24H19BrClNO/c1-2-28-24(17-11-7-4-8-12-17)21-14-18(25)13-20-19(15-22(26)27-23(20)21)16-9-5-3-6-10-16/h3-15,24H,2H2,1H3
InChIKeyIEPUFZQVOKJJNL-UHFFFAOYSA-N
MW452.78 g/mol
LogP7.44
Rot. Bonds5

About 6-bromo-2-chloro-8-[ethoxy(phenyl)methyl]-4-phenylquinoline

6-bromo-2-chloro-8-[ethoxy(phenyl)methyl]-4-phenylquinoline (PubChem CID 147902907) has the molecular formula C24H19BrClNO and a molecular weight of 452.78 g/mol. Its IUPAC name is 6-bromo-2-chloro-8-[ethoxy(phenyl)methyl]-4-phenylquinoline.

Molecular Properties

Compound Name6-bromo-2-chloro-8-[ethoxy(phenyl)methyl]-4-phenylquinoline
PubChem CID147902907
Molecular FormulaC24H19BrClNO
Molecular Weight452.78 g/mol
Exact Mass451.03
IUPAC Name6-bromo-2-chloro-8-[ethoxy(phenyl)methyl]-4-phenylquinoline
SMILESCCOC(c1ccccc1)c1cc(Br)cc2c(-c3ccccc3)cc(Cl)nc12
InChIInChI=1S/C24H19BrClNO/c1-2-28-24(17-11-7-4-8-12-17)21-14-18(25)13-20-19(15-22(26)27-23(20)21)16-9-5-3-6-10-16/h3-15,24H,2H2,1H3
InChIKeyIEPUFZQVOKJJNL-UHFFFAOYSA-N
XLogP7.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.78
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(6-bromo-2-methyl-4-phenylquinolin-8-yl)-phenylmethanol
CID 143401751
8-bromo-2-chloro-4-phenylquinoline
CID 43322933
2,7-bis[ethoxy(phenyl)methyl]-9-phenylacridine
CID 150367286
2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine
CID 10331991
2-chloro-5,6,8-trimethoxy-7-methyl-4-phenylquinoline
CID 10831265
bis[2-[ethoxy(phenyl)methyl]phenyl]methanone
CID 153325747
CID 56851104
CID 56851104
1-[ethoxy(phenyl)methyl]-2-methylsulfanylbenzene
CID 118669387
4-chloro-2-[ethoxy(phenyl)methyl]-5-iodo-6-methylpyrimidine
CID 116746101
4-(chloromethyl)-2-[ethoxy(phenyl)methyl]pyrimidine
CID 116779042
2,9-dichloro-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline
CID 170133592
CID 56851103
CID 56851103

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-8-[ethoxy(phenyl)methyl]-4-phenylquinoline?
The IUPAC name of 6-bromo-2-chloro-8-[ethoxy(phenyl)methyl]-4-phenylquinoline (CID 147902907) is 6-bromo-2-chloro-8-[ethoxy(phenyl)methyl]-4-phenylquinoline.
What is the SMILES notation for 6-bromo-2-chloro-8-[ethoxy(phenyl)methyl]-4-phenylquinoline?
The canonical SMILES for 6-bromo-2-chloro-8-[ethoxy(phenyl)methyl]-4-phenylquinoline is CCOC(c1ccccc1)c1cc(Br)cc2c(-c3ccccc3)cc(Cl)nc12.
What is the InChIKey of 6-bromo-2-chloro-8-[ethoxy(phenyl)methyl]-4-phenylquinoline?
The InChIKey is IEPUFZQVOKJJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrClNO/c1-2-28-24(17-11-7-4-8-12-17)21-14-18(25)13-20-19(15-22(26)27-23(20)21)16-9-5-3-6-10-16/h3-15,24H,2H2,1H3.
What are the key properties of 6-bromo-2-chloro-8-[ethoxy(phenyl)methyl]-4-phenylquinoline?
6-bromo-2-chloro-8-[ethoxy(phenyl)methyl]-4-phenylquinoline has a molecular weight of 452.78 g/mol, XLogP of 7.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-8-[ethoxy(phenyl)methyl]-4-phenylquinoline is sourced from PubChem (CID 147902907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).