6,7-dichloro-2-(4-chlorophenyl)-4-(phenylmethoxymethyl)quinoline

C23H16Cl3NO — CID 155543412

IUPAC6,7-dichloro-2-(4-chlorophenyl)-4-(phenylmethoxymethyl)quinoline
SMILESClc1ccc(-c2cc(COCc3ccccc3)c3cc(Cl)c(Cl)cc3n2)cc1
InChIInChI=1S/C23H16Cl3NO/c24-18-8-6-16(7-9-18)22-10-17(14-28-13-15-4-2-1-3-5-15)19-11-20(25)21(26)12-23(19)27-22/h1-12H,13-14H2
InChIKeyGKXKYCIIALDKHA-UHFFFAOYSA-N
MW428.75 g/mol
LogP7.58
Rot. Bonds5

About 6,7-dichloro-2-(4-chlorophenyl)-4-(phenylmethoxymethyl)quinoline

6,7-dichloro-2-(4-chlorophenyl)-4-(phenylmethoxymethyl)quinoline (PubChem CID 155543412) has the molecular formula C23H16Cl3NO and a molecular weight of 428.75 g/mol. Its IUPAC name is 6,7-dichloro-2-(4-chlorophenyl)-4-(phenylmethoxymethyl)quinoline.

Molecular Properties

Compound Name6,7-dichloro-2-(4-chlorophenyl)-4-(phenylmethoxymethyl)quinoline
PubChem CID155543412
Molecular FormulaC23H16Cl3NO
Molecular Weight428.75 g/mol
Exact Mass427.03
IUPAC Name6,7-dichloro-2-(4-chlorophenyl)-4-(phenylmethoxymethyl)quinoline
SMILESClc1ccc(-c2cc(COCc3ccccc3)c3cc(Cl)c(Cl)cc3n2)cc1
InChIInChI=1S/C23H16Cl3NO/c24-18-8-6-16(7-9-18)22-10-17(14-28-13-15-4-2-1-3-5-15)19-11-20(25)21(26)12-23(19)27-22/h1-12H,13-14H2
InChIKeyGKXKYCIIALDKHA-UHFFFAOYSA-N
XLogP7.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.75
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-(4-chlorophenyl)-4-(phenylmethoxymethyl)quinoline?
The IUPAC name of 6,7-dichloro-2-(4-chlorophenyl)-4-(phenylmethoxymethyl)quinoline (CID 155543412) is 6,7-dichloro-2-(4-chlorophenyl)-4-(phenylmethoxymethyl)quinoline.
What is the SMILES notation for 6,7-dichloro-2-(4-chlorophenyl)-4-(phenylmethoxymethyl)quinoline?
The canonical SMILES for 6,7-dichloro-2-(4-chlorophenyl)-4-(phenylmethoxymethyl)quinoline is Clc1ccc(-c2cc(COCc3ccccc3)c3cc(Cl)c(Cl)cc3n2)cc1.
What is the InChIKey of 6,7-dichloro-2-(4-chlorophenyl)-4-(phenylmethoxymethyl)quinoline?
The InChIKey is GKXKYCIIALDKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl3NO/c24-18-8-6-16(7-9-18)22-10-17(14-28-13-15-4-2-1-3-5-15)19-11-20(25)21(26)12-23(19)27-22/h1-12H,13-14H2.
What are the key properties of 6,7-dichloro-2-(4-chlorophenyl)-4-(phenylmethoxymethyl)quinoline?
6,7-dichloro-2-(4-chlorophenyl)-4-(phenylmethoxymethyl)quinoline has a molecular weight of 428.75 g/mol, XLogP of 7.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-(4-chlorophenyl)-4-(phenylmethoxymethyl)quinoline is sourced from PubChem (CID 155543412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).