4-chloro-7-[(4-chloroquinolin-7-yl)methoxymethyl]quinoline

C20H14Cl2N2O — CID 22054612

IUPAC4-chloro-7-[(4-chloroquinolin-7-yl)methoxymethyl]quinoline
SMILESClc1ccnc2cc(COCc3ccc4c(Cl)ccnc4c3)ccc12
InChIInChI=1S/C20H14Cl2N2O/c21-17-5-7-23-19-9-13(1-3-15(17)19)11-25-12-14-2-4-16-18(22)6-8-24-20(16)10-14/h1-10H,11-12H2
InChIKeyWESLGFLJVJTHFN-UHFFFAOYSA-N
MW369.25 g/mol
LogP5.81
Rot. Bonds4

About 4-chloro-7-[(4-chloroquinolin-7-yl)methoxymethyl]quinoline

4-chloro-7-[(4-chloroquinolin-7-yl)methoxymethyl]quinoline (PubChem CID 22054612) has the molecular formula C20H14Cl2N2O and a molecular weight of 369.25 g/mol. Its IUPAC name is 4-chloro-7-[(4-chloroquinolin-7-yl)methoxymethyl]quinoline.

Molecular Properties

Compound Name4-chloro-7-[(4-chloroquinolin-7-yl)methoxymethyl]quinoline
PubChem CID22054612
Molecular FormulaC20H14Cl2N2O
Molecular Weight369.25 g/mol
Exact Mass368.05
IUPAC Name4-chloro-7-[(4-chloroquinolin-7-yl)methoxymethyl]quinoline
SMILESClc1ccnc2cc(COCc3ccc4c(Cl)ccnc4c3)ccc12
InChIInChI=1S/C20H14Cl2N2O/c21-17-5-7-23-19-9-13(1-3-15(17)19)11-25-12-14-2-4-16-18(22)6-8-24-20(16)10-14/h1-10H,11-12H2
InChIKeyWESLGFLJVJTHFN-UHFFFAOYSA-N
XLogP5.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.25
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2-bromoethyl)-4-chloroquinoline
CID 174461037
4,7-dichloroquinoline
CID 6866
1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione
CID 162469910
4-chloro-7-[[(3S)-3,5-dimethylpiperazin-1-yl]methyl]quinoline
CID 151469132
4-chloro-7-(2-phenylethoxy)quinoline
CID 78324294
4-chloro-7-(2-methoxyethoxy)quinoline
CID 22265262
1-[(4-chloroquinolin-7-yl)methyl]pyrrolidin-3-ol
CID 175402022
4-chloro-7-hexoxyquinoline
CID 78323998
7-(1H-benzimidazol-2-ylsulfanylmethyl)-4-chloroquinoline
CID 19075129
3-(4-chloroquinolin-7-yl)prop-2-yne-1-thiol
CID 169487292
3-chloro-1-(4-chloroquinolin-7-yl)propane-1,2-diol
CID 171862802
4-chloro-6-phenylmethoxyquinoline
CID 23078431

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[(4-chloroquinolin-7-yl)methoxymethyl]quinoline?
The IUPAC name of 4-chloro-7-[(4-chloroquinolin-7-yl)methoxymethyl]quinoline (CID 22054612) is 4-chloro-7-[(4-chloroquinolin-7-yl)methoxymethyl]quinoline.
What is the SMILES notation for 4-chloro-7-[(4-chloroquinolin-7-yl)methoxymethyl]quinoline?
The canonical SMILES for 4-chloro-7-[(4-chloroquinolin-7-yl)methoxymethyl]quinoline is Clc1ccnc2cc(COCc3ccc4c(Cl)ccnc4c3)ccc12.
What is the InChIKey of 4-chloro-7-[(4-chloroquinolin-7-yl)methoxymethyl]quinoline?
The InChIKey is WESLGFLJVJTHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O/c21-17-5-7-23-19-9-13(1-3-15(17)19)11-25-12-14-2-4-16-18(22)6-8-24-20(16)10-14/h1-10H,11-12H2.
What are the key properties of 4-chloro-7-[(4-chloroquinolin-7-yl)methoxymethyl]quinoline?
4-chloro-7-[(4-chloroquinolin-7-yl)methoxymethyl]quinoline has a molecular weight of 369.25 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[(4-chloroquinolin-7-yl)methoxymethyl]quinoline is sourced from PubChem (CID 22054612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).