3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-[(E)-prop-1-enyl]quinoline

C21H20FNO — CID 89278669

IUPAC3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-[(E)-prop-1-enyl]quinoline
SMILESC/C=C/c1cc(C)c(OC)c2ncc(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C21H20FNO/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/h4-10,12-13H,11H2,1-3H3/b5-4+
InChIKeyDHTSAVMTLQFCBU-SNAWJCMRSA-N
MW321.40 g/mol
LogP5.31
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-[(E)-prop-1-enyl]quinoline

3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-[(E)-prop-1-enyl]quinoline (PubChem CID 89278669) has the molecular formula C21H20FNO and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-[(E)-prop-1-enyl]quinoline.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-[(E)-prop-1-enyl]quinoline
PubChem CID89278669
Molecular FormulaC21H20FNO
Molecular Weight321.40 g/mol
Exact Mass321.15
IUPAC Name3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-[(E)-prop-1-enyl]quinoline
SMILESC/C=C/c1cc(C)c(OC)c2ncc(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C21H20FNO/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/h4-10,12-13H,11H2,1-3H3/b5-4+
InChIKeyDHTSAVMTLQFCBU-SNAWJCMRSA-N
XLogP5.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.40
LogP ≤ 55.31
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-[(E)-prop-1-enyl]quinoline?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-[(E)-prop-1-enyl]quinoline (CID 89278669) is 3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-[(E)-prop-1-enyl]quinoline.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-[(E)-prop-1-enyl]quinoline?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-[(E)-prop-1-enyl]quinoline is C/C=C/c1cc(C)c(OC)c2ncc(Cc3ccc(F)cc3)cc12.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-[(E)-prop-1-enyl]quinoline?
The InChIKey is DHTSAVMTLQFCBU-SNAWJCMRSA-N. The full InChI is InChI=1S/C21H20FNO/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/h4-10,12-13H,11H2,1-3H3/b5-4+.
What are the key properties of 3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-[(E)-prop-1-enyl]quinoline?
3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-[(E)-prop-1-enyl]quinoline has a molecular weight of 321.40 g/mol, XLogP of 5.31, 4 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-[(E)-prop-1-enyl]quinoline is sourced from PubChem (CID 89278669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).