3-[(2,4-dichlorophenyl)methoxy]quinoline

C16H11Cl2NO — CID 107388172

IUPAC3-[(2,4-dichlorophenyl)methoxy]quinoline
SMILESClc1ccc(COc2cnc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C16H11Cl2NO/c17-13-6-5-12(15(18)8-13)10-20-14-7-11-3-1-2-4-16(11)19-9-14/h1-9H,10H2
InChIKeyPTPJUBYIBYHXOJ-UHFFFAOYSA-N
MW304.18 g/mol
LogP5.12
Rot. Bonds3

About 3-[(2,4-dichlorophenyl)methoxy]quinoline

3-[(2,4-dichlorophenyl)methoxy]quinoline (PubChem CID 107388172) has the molecular formula C16H11Cl2NO and a molecular weight of 304.18 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methoxy]quinoline.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methoxy]quinoline
PubChem CID107388172
Molecular FormulaC16H11Cl2NO
Molecular Weight304.18 g/mol
Exact Mass303.02
IUPAC Name3-[(2,4-dichlorophenyl)methoxy]quinoline
SMILESClc1ccc(COc2cnc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C16H11Cl2NO/c17-13-6-5-12(15(18)8-13)10-20-14-7-11-3-1-2-4-16(11)19-9-14/h1-9H,10H2
InChIKeyPTPJUBYIBYHXOJ-UHFFFAOYSA-N
XLogP5.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.18
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-fluoro-4-methoxyphenyl)methoxy]quinoline
CID 107388111
3-[4-chloro-2-(chloromethyl)phenoxy]quinoline
CID 107387584
(2-chloro-4-quinolin-3-yloxyphenyl)methanamine
CID 107386840
2-quinolin-3-yloxyethanamine
CID 84661473
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-benzothiazole
CID 91678634
3-(bromomethoxy)quinoline
CID 54277099
2-bromo-6-[(2,4-dichlorophenyl)methoxy]naphthalene
CID 60624704
5-chloro-2-quinolin-3-yloxyaniline
CID 107386897
2-quinolin-3-yloxyethanol
CID 102847036
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 137085110
2-chloro-6-[(2,4-dichlorophenyl)methoxy]pyridine
CID 121012693

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methoxy]quinoline?
The IUPAC name of 3-[(2,4-dichlorophenyl)methoxy]quinoline (CID 107388172) is 3-[(2,4-dichlorophenyl)methoxy]quinoline.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methoxy]quinoline?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methoxy]quinoline is Clc1ccc(COc2cnc3ccccc3c2)c(Cl)c1.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methoxy]quinoline?
The InChIKey is PTPJUBYIBYHXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO/c17-13-6-5-12(15(18)8-13)10-20-14-7-11-3-1-2-4-16(11)19-9-14/h1-9H,10H2.
What are the key properties of 3-[(2,4-dichlorophenyl)methoxy]quinoline?
3-[(2,4-dichlorophenyl)methoxy]quinoline has a molecular weight of 304.18 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methoxy]quinoline is sourced from PubChem (CID 107388172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).