4-[(4-bromophenyl)methoxy]-2-ethylquinoline

C18H16BrNO — CID 22574733

IUPAC4-[(4-bromophenyl)methoxy]-2-ethylquinoline
SMILESCCc1cc(OCc2ccc(Br)cc2)c2ccccc2n1
InChIInChI=1S/C18H16BrNO/c1-2-15-11-18(16-5-3-4-6-17(16)20-15)21-12-13-7-9-14(19)10-8-13/h3-11H,2,12H2,1H3
InChIKeyATZGFMBJZQJQON-UHFFFAOYSA-N
MW342.24 g/mol
LogP5.14
Rot. Bonds4

About 4-[(4-bromophenyl)methoxy]-2-ethylquinoline

4-[(4-bromophenyl)methoxy]-2-ethylquinoline (PubChem CID 22574733) has the molecular formula C18H16BrNO and a molecular weight of 342.24 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methoxy]-2-ethylquinoline.

Molecular Properties

Compound Name4-[(4-bromophenyl)methoxy]-2-ethylquinoline
PubChem CID22574733
Molecular FormulaC18H16BrNO
Molecular Weight342.24 g/mol
Exact Mass341.04
IUPAC Name4-[(4-bromophenyl)methoxy]-2-ethylquinoline
SMILESCCc1cc(OCc2ccc(Br)cc2)c2ccccc2n1
InChIInChI=1S/C18H16BrNO/c1-2-15-11-18(16-5-3-4-6-17(16)20-15)21-12-13-7-9-14(19)10-8-13/h3-11H,2,12H2,1H3
InChIKeyATZGFMBJZQJQON-UHFFFAOYSA-N
XLogP5.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.24
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(4-bromophenyl)methoxy]-2-ethylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-phenylmethoxyquinolin-2-yl)methanamine
CID 63377220
2-[4-[(2-propylquinolin-4-yl)oxymethyl]phenyl]benzoic acid
CID 11741515
2-phenyl-4-phenylmethoxyquinoline
CID 14954067
4-[5-[2-[4-[(2-ethylquinolin-4-yl)oxymethyl]phenyl]phenyl]tetrazol-1-yl]benzonitrile
CID 19935782
2-bromo-4-ethoxyquinoline
CID 824618
(1R)-1-[2-[(4-bromophenyl)methoxy]phenyl]propan-1-ol
CID 55188606
[4-[(3-chlorophenyl)methoxy]quinolin-2-yl]methanol
CID 65126437
4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
CID 144758228
4-butoxy-2-(chloromethyl)quinoline
CID 63375315
2-ethyl-6-phenylmethoxyquinolin-4-amine
CID 62204129
2,6-diethyl-4-(phenoxymethyl)pyridine
CID 91150139
2-ethyl-7-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
CID 10435012

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methoxy]-2-ethylquinoline?
The IUPAC name of 4-[(4-bromophenyl)methoxy]-2-ethylquinoline (CID 22574733) is 4-[(4-bromophenyl)methoxy]-2-ethylquinoline.
What is the SMILES notation for 4-[(4-bromophenyl)methoxy]-2-ethylquinoline?
The canonical SMILES for 4-[(4-bromophenyl)methoxy]-2-ethylquinoline is CCc1cc(OCc2ccc(Br)cc2)c2ccccc2n1.
What is the InChIKey of 4-[(4-bromophenyl)methoxy]-2-ethylquinoline?
The InChIKey is ATZGFMBJZQJQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO/c1-2-15-11-18(16-5-3-4-6-17(16)20-15)21-12-13-7-9-14(19)10-8-13/h3-11H,2,12H2,1H3.
What are the key properties of 4-[(4-bromophenyl)methoxy]-2-ethylquinoline?
4-[(4-bromophenyl)methoxy]-2-ethylquinoline has a molecular weight of 342.24 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methoxy]-2-ethylquinoline is sourced from PubChem (CID 22574733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).