3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-propylquinoline

C21H22FNO — CID 71104106

IUPAC3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-propylquinoline
SMILESCCCc1cc(C)c(OC)c2ncc(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C21H22FNO/c1-4-5-17-10-14(2)21(24-3)20-19(17)12-16(13-23-20)11-15-6-8-18(22)9-7-15/h6-10,12-13H,4-5,11H2,1-3H3
InChIKeyMCZXHMRCJKOYGT-UHFFFAOYSA-N
MW323.41 g/mol
LogP5.23
Rot. Bonds5

About 3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-propylquinoline

3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-propylquinoline (PubChem CID 71104106) has the molecular formula C21H22FNO and a molecular weight of 323.41 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-propylquinoline.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-propylquinoline
PubChem CID71104106
Molecular FormulaC21H22FNO
Molecular Weight323.41 g/mol
Exact Mass323.17
IUPAC Name3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-propylquinoline
SMILESCCCc1cc(C)c(OC)c2ncc(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C21H22FNO/c1-4-5-17-10-14(2)21(24-3)20-19(17)12-16(13-23-20)11-15-6-8-18(22)9-7-15/h6-10,12-13H,4-5,11H2,1-3H3
InChIKeyMCZXHMRCJKOYGT-UHFFFAOYSA-N
XLogP5.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.41
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-propylquinoline?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-propylquinoline (CID 71104106) is 3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-propylquinoline.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-propylquinoline?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-propylquinoline is CCCc1cc(C)c(OC)c2ncc(Cc3ccc(F)cc3)cc12.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-propylquinoline?
The InChIKey is MCZXHMRCJKOYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO/c1-4-5-17-10-14(2)21(24-3)20-19(17)12-16(13-23-20)11-15-6-8-18(22)9-7-15/h6-10,12-13H,4-5,11H2,1-3H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-propylquinoline?
3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-propylquinoline has a molecular weight of 323.41 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-propylquinoline is sourced from PubChem (CID 71104106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).