5-chloro-2,8-dimethyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline

C23H26ClNO — CID 2796745

IUPAC5-chloro-2,8-dimethyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline
SMILESCc1cc(OCc2c(C)c(C)c(C)c(C)c2C)c2c(Cl)ccc(C)c2n1
InChIInChI=1S/C23H26ClNO/c1-12-8-9-20(24)22-21(10-13(2)25-23(12)22)26-11-19-17(6)15(4)14(3)16(5)18(19)7/h8-10H,11H2,1-7H3
InChIKeyNLRUOTIWVSFXFM-UHFFFAOYSA-N
MW367.92 g/mol
LogP6.63
Rot. Bonds3

About 5-chloro-2,8-dimethyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline

5-chloro-2,8-dimethyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline (PubChem CID 2796745) has the molecular formula C23H26ClNO and a molecular weight of 367.92 g/mol. Its IUPAC name is 5-chloro-2,8-dimethyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline.

Molecular Properties

Compound Name5-chloro-2,8-dimethyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline
PubChem CID2796745
Molecular FormulaC23H26ClNO
Molecular Weight367.92 g/mol
Exact Mass367.17
IUPAC Name5-chloro-2,8-dimethyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline
SMILESCc1cc(OCc2c(C)c(C)c(C)c(C)c2C)c2c(Cl)ccc(C)c2n1
InChIInChI=1S/C23H26ClNO/c1-12-8-9-20(24)22-21(10-13(2)25-23(12)22)26-11-19-17(6)15(4)14(3)16(5)18(19)7/h8-10H,11H2,1-7H3
InChIKeyNLRUOTIWVSFXFM-UHFFFAOYSA-N
XLogP6.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.92
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,8-dimethyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline?
The IUPAC name of 5-chloro-2,8-dimethyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline (CID 2796745) is 5-chloro-2,8-dimethyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline.
What is the SMILES notation for 5-chloro-2,8-dimethyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline?
The canonical SMILES for 5-chloro-2,8-dimethyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline is Cc1cc(OCc2c(C)c(C)c(C)c(C)c2C)c2c(Cl)ccc(C)c2n1.
What is the InChIKey of 5-chloro-2,8-dimethyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline?
The InChIKey is NLRUOTIWVSFXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClNO/c1-12-8-9-20(24)22-21(10-13(2)25-23(12)22)26-11-19-17(6)15(4)14(3)16(5)18(19)7/h8-10H,11H2,1-7H3.
What are the key properties of 5-chloro-2,8-dimethyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline?
5-chloro-2,8-dimethyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline has a molecular weight of 367.92 g/mol, XLogP of 6.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,8-dimethyl-4-[(2,3,4,5,6-pentamethylphenyl)methoxy]quinoline is sourced from PubChem (CID 2796745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).