2-(4-chlorophenyl)-6-methyl-4-(phenylmethoxymethyl)quinoline

C24H20ClNO — CID 155550443

IUPAC2-(4-chlorophenyl)-6-methyl-4-(phenylmethoxymethyl)quinoline
SMILESCc1ccc2nc(-c3ccc(Cl)cc3)cc(COCc3ccccc3)c2c1
InChIInChI=1S/C24H20ClNO/c1-17-7-12-23-22(13-17)20(16-27-15-18-5-3-2-4-6-18)14-24(26-23)19-8-10-21(25)11-9-19/h2-14H,15-16H2,1H3
InChIKeyUYPSTONMEKGXEL-UHFFFAOYSA-N
MW373.88 g/mol
LogP6.58
Rot. Bonds5

About 2-(4-chlorophenyl)-6-methyl-4-(phenylmethoxymethyl)quinoline

2-(4-chlorophenyl)-6-methyl-4-(phenylmethoxymethyl)quinoline (PubChem CID 155550443) has the molecular formula C24H20ClNO and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-methyl-4-(phenylmethoxymethyl)quinoline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-methyl-4-(phenylmethoxymethyl)quinoline
PubChem CID155550443
Molecular FormulaC24H20ClNO
Molecular Weight373.88 g/mol
Exact Mass373.12
IUPAC Name2-(4-chlorophenyl)-6-methyl-4-(phenylmethoxymethyl)quinoline
SMILESCc1ccc2nc(-c3ccc(Cl)cc3)cc(COCc3ccccc3)c2c1
InChIInChI=1S/C24H20ClNO/c1-17-7-12-23-22(13-17)20(16-27-15-18-5-3-2-4-6-18)14-24(26-23)19-8-10-21(25)11-9-19/h2-14H,15-16H2,1H3
InChIKeyUYPSTONMEKGXEL-UHFFFAOYSA-N
XLogP6.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.88
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-methyl-4-(phenylmethoxymethyl)quinoline?
The IUPAC name of 2-(4-chlorophenyl)-6-methyl-4-(phenylmethoxymethyl)quinoline (CID 155550443) is 2-(4-chlorophenyl)-6-methyl-4-(phenylmethoxymethyl)quinoline.
What is the SMILES notation for 2-(4-chlorophenyl)-6-methyl-4-(phenylmethoxymethyl)quinoline?
The canonical SMILES for 2-(4-chlorophenyl)-6-methyl-4-(phenylmethoxymethyl)quinoline is Cc1ccc2nc(-c3ccc(Cl)cc3)cc(COCc3ccccc3)c2c1.
What is the InChIKey of 2-(4-chlorophenyl)-6-methyl-4-(phenylmethoxymethyl)quinoline?
The InChIKey is UYPSTONMEKGXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO/c1-17-7-12-23-22(13-17)20(16-27-15-18-5-3-2-4-6-18)14-24(26-23)19-8-10-21(25)11-9-19/h2-14H,15-16H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-methyl-4-(phenylmethoxymethyl)quinoline?
2-(4-chlorophenyl)-6-methyl-4-(phenylmethoxymethyl)quinoline has a molecular weight of 373.88 g/mol, XLogP of 6.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-methyl-4-(phenylmethoxymethyl)quinoline is sourced from PubChem (CID 155550443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).