7-[2-chloro-4-(chloromethyl)phenoxy]quinoline

C16H11Cl2NO — CID 107314157

IUPAC7-[2-chloro-4-(chloromethyl)phenoxy]quinoline
SMILESClCc1ccc(Oc2ccc3cccnc3c2)c(Cl)c1
InChIInChI=1S/C16H11Cl2NO/c17-10-11-3-6-16(14(18)8-11)20-13-5-4-12-2-1-7-19-15(12)9-13/h1-9H,10H2
InChIKeyKYZUEPZQKQFKCP-UHFFFAOYSA-N
MW304.18 g/mol
LogP5.42
Rot. Bonds3

About 7-[2-chloro-4-(chloromethyl)phenoxy]quinoline

7-[2-chloro-4-(chloromethyl)phenoxy]quinoline (PubChem CID 107314157) has the molecular formula C16H11Cl2NO and a molecular weight of 304.18 g/mol. Its IUPAC name is 7-[2-chloro-4-(chloromethyl)phenoxy]quinoline.

Molecular Properties

Compound Name7-[2-chloro-4-(chloromethyl)phenoxy]quinoline
PubChem CID107314157
Molecular FormulaC16H11Cl2NO
Molecular Weight304.18 g/mol
Exact Mass303.02
IUPAC Name7-[2-chloro-4-(chloromethyl)phenoxy]quinoline
SMILESClCc1ccc(Oc2ccc3cccnc3c2)c(Cl)c1
InChIInChI=1S/C16H11Cl2NO/c17-10-11-3-6-16(14(18)8-11)20-13-5-4-12-2-1-7-19-15(12)9-13/h1-9H,10H2
InChIKeyKYZUEPZQKQFKCP-UHFFFAOYSA-N
XLogP5.42
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 ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

7-[4-(bromomethyl)-2-chlorophenoxy]quinoline
CID 107314175
7-[4-(chloromethyl)-2-fluorophenoxy]quinoline
CID 107314176
3-chloro-4-quinolin-7-yloxybenzoic acid
CID 107314076
7-[5-bromo-2-(chloromethyl)phenoxy]quinoline
CID 107314156
6-[4-(chloromethyl)phenoxy]quinoline
CID 82093013
2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyrimidine
CID 62697877
3-chloro-4-quinolin-6-yloxyaniline
CID 13490789
7-[(2-chloro-4-pyridinyl)oxy]quinoline
CID 107313588
7-[2-(bromomethyl)phenoxy]quinoline
CID 107314164
2-(4-methyl-3-quinolin-7-yloxyphenyl)ethanamine
CID 107315468
5-iodo-2-quinolin-7-yloxyaniline
CID 107313234
7-pyridin-4-yloxyquinoline
CID 141187990

Frequently Asked Questions

What is the IUPAC name of 7-[2-chloro-4-(chloromethyl)phenoxy]quinoline?
The IUPAC name of 7-[2-chloro-4-(chloromethyl)phenoxy]quinoline (CID 107314157) is 7-[2-chloro-4-(chloromethyl)phenoxy]quinoline.
What is the SMILES notation for 7-[2-chloro-4-(chloromethyl)phenoxy]quinoline?
The canonical SMILES for 7-[2-chloro-4-(chloromethyl)phenoxy]quinoline is ClCc1ccc(Oc2ccc3cccnc3c2)c(Cl)c1.
What is the InChIKey of 7-[2-chloro-4-(chloromethyl)phenoxy]quinoline?
The InChIKey is KYZUEPZQKQFKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO/c17-10-11-3-6-16(14(18)8-11)20-13-5-4-12-2-1-7-19-15(12)9-13/h1-9H,10H2.
What are the key properties of 7-[2-chloro-4-(chloromethyl)phenoxy]quinoline?
7-[2-chloro-4-(chloromethyl)phenoxy]quinoline has a molecular weight of 304.18 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-chloro-4-(chloromethyl)phenoxy]quinoline is sourced from PubChem (CID 107314157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).