6-methoxy-8-methyl-3-propyl-1,2,3,4-tetrahydroquinoline

C14H21NO — CID 63386153

IUPAC6-methoxy-8-methyl-3-propyl-1,2,3,4-tetrahydroquinoline
SMILESCCCC1CNc2c(C)cc(OC)cc2C1
InChIInChI=1S/C14H21NO/c1-4-5-11-7-12-8-13(16-3)6-10(2)14(12)15-9-11/h6,8,11,15H,4-5,7,9H2,1-3H3
InChIKeyHCANGFCSXWGPMU-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.39
Rot. Bonds3

About 6-methoxy-8-methyl-3-propyl-1,2,3,4-tetrahydroquinoline

6-methoxy-8-methyl-3-propyl-1,2,3,4-tetrahydroquinoline (PubChem CID 63386153) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 6-methoxy-8-methyl-3-propyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-methoxy-8-methyl-3-propyl-1,2,3,4-tetrahydroquinoline
PubChem CID63386153
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name6-methoxy-8-methyl-3-propyl-1,2,3,4-tetrahydroquinoline
SMILESCCCC1CNc2c(C)cc(OC)cc2C1
InChIInChI=1S/C14H21NO/c1-4-5-11-7-12-8-13(16-3)6-10(2)14(12)15-9-11/h6,8,11,15H,4-5,7,9H2,1-3H3
InChIKeyHCANGFCSXWGPMU-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-8-methyl-3-propyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-methoxy-8-methyl-3-propyl-1,2,3,4-tetrahydroquinoline (CID 63386153) is 6-methoxy-8-methyl-3-propyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-methoxy-8-methyl-3-propyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-methoxy-8-methyl-3-propyl-1,2,3,4-tetrahydroquinoline is CCCC1CNc2c(C)cc(OC)cc2C1.
What is the InChIKey of 6-methoxy-8-methyl-3-propyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is HCANGFCSXWGPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-5-11-7-12-8-13(16-3)6-10(2)14(12)15-9-11/h6,8,11,15H,4-5,7,9H2,1-3H3.
What are the key properties of 6-methoxy-8-methyl-3-propyl-1,2,3,4-tetrahydroquinoline?
6-methoxy-8-methyl-3-propyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 219.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-8-methyl-3-propyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 63386153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).