6-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-4-phenylquinoline

C24H20ClNO2 — CID 2809389

IUPAC6-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-4-phenylquinoline
SMILESCOc1ccc(-c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)cc1OC
InChIInChI=1S/C24H20ClNO2/c1-15-23(17-9-12-21(27-2)22(13-17)28-3)24(16-7-5-4-6-8-16)19-14-18(25)10-11-20(19)26-15/h4-14H,1-3H3
InChIKeyFVVURMPCGUWQAJ-UHFFFAOYSA-N
MW389.88 g/mol
LogP6.55
Rot. Bonds4

About 6-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-4-phenylquinoline

6-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-4-phenylquinoline (PubChem CID 2809389) has the molecular formula C24H20ClNO2 and a molecular weight of 389.88 g/mol. Its IUPAC name is 6-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-4-phenylquinoline.

Molecular Properties

Compound Name6-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-4-phenylquinoline
PubChem CID2809389
Molecular FormulaC24H20ClNO2
Molecular Weight389.88 g/mol
Exact Mass389.12
IUPAC Name6-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-4-phenylquinoline
SMILESCOc1ccc(-c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)cc1OC
InChIInChI=1S/C24H20ClNO2/c1-15-23(17-9-12-21(27-2)22(13-17)28-3)24(16-7-5-4-6-8-16)19-14-18(25)10-11-20(19)26-15/h4-14H,1-3H3
InChIKeyFVVURMPCGUWQAJ-UHFFFAOYSA-N
XLogP6.55
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.88
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-4-phenylquinoline?
The IUPAC name of 6-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-4-phenylquinoline (CID 2809389) is 6-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-4-phenylquinoline.
What is the SMILES notation for 6-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-4-phenylquinoline?
The canonical SMILES for 6-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-4-phenylquinoline is COc1ccc(-c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)cc1OC.
What is the InChIKey of 6-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-4-phenylquinoline?
The InChIKey is FVVURMPCGUWQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO2/c1-15-23(17-9-12-21(27-2)22(13-17)28-3)24(16-7-5-4-6-8-16)19-14-18(25)10-11-20(19)26-15/h4-14H,1-3H3.
What are the key properties of 6-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-4-phenylquinoline?
6-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-4-phenylquinoline has a molecular weight of 389.88 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-4-phenylquinoline is sourced from PubChem (CID 2809389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).