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

C16H11BrClNO — CID 42597758

IUPAC4-[(2-bromophenyl)methoxy]-2-chloroquinoline
SMILESClc1cc(OCc2ccccc2Br)c2ccccc2n1
InChIInChI=1S/C16H11BrClNO/c17-13-7-3-1-5-11(13)10-20-15-9-16(18)19-14-8-4-2-6-12(14)15/h1-9H,10H2
InChIKeyGCSDWLQWLSSOII-UHFFFAOYSA-N
MW348.63 g/mol
LogP5.23
Rot. Bonds3

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

4-[(2-bromophenyl)methoxy]-2-chloroquinoline (PubChem CID 42597758) has the molecular formula C16H11BrClNO and a molecular weight of 348.63 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methoxy]-2-chloroquinoline.

Molecular Properties

Compound Name4-[(2-bromophenyl)methoxy]-2-chloroquinoline
PubChem CID42597758
Molecular FormulaC16H11BrClNO
Molecular Weight348.63 g/mol
Exact Mass346.97
IUPAC Name4-[(2-bromophenyl)methoxy]-2-chloroquinoline
SMILESClc1cc(OCc2ccccc2Br)c2ccccc2n1
InChIInChI=1S/C16H11BrClNO/c17-13-7-3-1-5-11(13)10-20-15-9-16(18)19-14-8-4-2-6-12(14)15/h1-9H,10H2
InChIKeyGCSDWLQWLSSOII-UHFFFAOYSA-N
XLogP5.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.63
LogP ≤ 55.23
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

2-chloro-4-[(2-fluorophenyl)methoxy]quinoline
CID 42597518
2-[2-[(2-chloroquinolin-4-yl)methoxy]phenyl]acetamide
CID 75511404
1-[(2-bromophenyl)methoxy]-4-chloro-2-fluorobenzene
CID 146004192
4-[(2-bromophenyl)methoxy]-6-chloro-2-methylsulfanylpyrimidine
CID 82824209
2-[(2-bromophenyl)methoxy]-4,6-dichloro-1,3,5-triazine
CID 82823763
2-chloro-4-(trifluoromethoxy)quinoline
CID 150452765
2-[(2-bromophenyl)methoxy]-5-chloro-3-methoxybenzoic acid
CID 104665659
4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline
CID 79231433
1-[(2-bromophenyl)methoxy]-4-(chloromethyl)isoquinoline
CID 106769652
4-[(2-bromophenyl)methoxy]-1-methylquinolin-2-one
CID 12031180
2-(bromomethyl)-3-[(2-bromophenyl)methoxy]-6-methylpyridine
CID 79169212
2-(2-bromophenoxy)-4-(chloromethyl)quinoline
CID 63446400

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methoxy]-2-chloroquinoline?
The IUPAC name of 4-[(2-bromophenyl)methoxy]-2-chloroquinoline (CID 42597758) is 4-[(2-bromophenyl)methoxy]-2-chloroquinoline.
What is the SMILES notation for 4-[(2-bromophenyl)methoxy]-2-chloroquinoline?
The canonical SMILES for 4-[(2-bromophenyl)methoxy]-2-chloroquinoline is Clc1cc(OCc2ccccc2Br)c2ccccc2n1.
What is the InChIKey of 4-[(2-bromophenyl)methoxy]-2-chloroquinoline?
The InChIKey is GCSDWLQWLSSOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO/c17-13-7-3-1-5-11(13)10-20-15-9-16(18)19-14-8-4-2-6-12(14)15/h1-9H,10H2.
What are the key properties of 4-[(2-bromophenyl)methoxy]-2-chloroquinoline?
4-[(2-bromophenyl)methoxy]-2-chloroquinoline has a molecular weight of 348.63 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methoxy]-2-chloroquinoline is sourced from PubChem (CID 42597758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).