1-benzyl-6-methoxy-4-methylidenequinoline

C18H17NO — CID 45489031

IUPAC1-benzyl-6-methoxy-4-methylidenequinoline
SMILESC=C1C=CN(Cc2ccccc2)c2ccc(OC)cc21
InChIInChI=1S/C18H17NO/c1-14-10-11-19(13-15-6-4-3-5-7-15)18-9-8-16(20-2)12-17(14)18/h3-12H,1,13H2,2H3
InChIKeyRKHUZSPQFLMETN-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.24
Rot. Bonds3

About 1-benzyl-6-methoxy-4-methylidenequinoline

1-benzyl-6-methoxy-4-methylidenequinoline (PubChem CID 45489031) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-benzyl-6-methoxy-4-methylidenequinoline.

Molecular Properties

Compound Name1-benzyl-6-methoxy-4-methylidenequinoline
PubChem CID45489031
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1-benzyl-6-methoxy-4-methylidenequinoline
SMILESC=C1C=CN(Cc2ccccc2)c2ccc(OC)cc21
InChIInChI=1S/C18H17NO/c1-14-10-11-19(13-15-6-4-3-5-7-15)18-9-8-16(20-2)12-17(14)18/h3-12H,1,13H2,2H3
InChIKeyRKHUZSPQFLMETN-UHFFFAOYSA-N
XLogP4.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-6-methoxy-4-methylidenequinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-methoxy-4-methylidenequinoline?
The IUPAC name of 1-benzyl-6-methoxy-4-methylidenequinoline (CID 45489031) is 1-benzyl-6-methoxy-4-methylidenequinoline.
What is the SMILES notation for 1-benzyl-6-methoxy-4-methylidenequinoline?
The canonical SMILES for 1-benzyl-6-methoxy-4-methylidenequinoline is C=C1C=CN(Cc2ccccc2)c2ccc(OC)cc21.
What is the InChIKey of 1-benzyl-6-methoxy-4-methylidenequinoline?
The InChIKey is RKHUZSPQFLMETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-14-10-11-19(13-15-6-4-3-5-7-15)18-9-8-16(20-2)12-17(14)18/h3-12H,1,13H2,2H3.
What are the key properties of 1-benzyl-6-methoxy-4-methylidenequinoline?
1-benzyl-6-methoxy-4-methylidenequinoline has a molecular weight of 263.34 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-methoxy-4-methylidenequinoline is sourced from PubChem (CID 45489031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).