1-dodecyl-3-methyl-4H-quinoline

C22H35N — CID 89157959

IUPAC1-dodecyl-3-methyl-4H-quinoline
SMILESCCCCCCCCCCCCN1C=C(C)Cc2ccccc21
InChIInChI=1S/C22H35N/c1-3-4-5-6-7-8-9-10-11-14-17-23-19-20(2)18-21-15-12-13-16-22(21)23/h12-13,15-16,19H,3-11,14,17-18H2,1-2H3
InChIKeyRWOQSYIQQKUIQP-UHFFFAOYSA-N
MW313.53 g/mol
LogP6.87
Rot. Bonds11

About 1-dodecyl-3-methyl-4H-quinoline

1-dodecyl-3-methyl-4H-quinoline (PubChem CID 89157959) has the molecular formula C22H35N and a molecular weight of 313.53 g/mol. Its IUPAC name is 1-dodecyl-3-methyl-4H-quinoline.

Molecular Properties

Compound Name1-dodecyl-3-methyl-4H-quinoline
PubChem CID89157959
Molecular FormulaC22H35N
Molecular Weight313.53 g/mol
Exact Mass313.28
IUPAC Name1-dodecyl-3-methyl-4H-quinoline
SMILESCCCCCCCCCCCCN1C=C(C)Cc2ccccc21
InChIInChI=1S/C22H35N/c1-3-4-5-6-7-8-9-10-11-14-17-23-19-20(2)18-21-15-12-13-16-22(21)23/h12-13,15-16,19H,3-11,14,17-18H2,1-2H3
InChIKeyRWOQSYIQQKUIQP-UHFFFAOYSA-N
XLogP6.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-dodecyl-3-methyl-4H-quinoline 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-dodecyl-3-methyl-4H-quinoline?
The IUPAC name of 1-dodecyl-3-methyl-4H-quinoline (CID 89157959) is 1-dodecyl-3-methyl-4H-quinoline.
What is the SMILES notation for 1-dodecyl-3-methyl-4H-quinoline?
The canonical SMILES for 1-dodecyl-3-methyl-4H-quinoline is CCCCCCCCCCCCN1C=C(C)Cc2ccccc21.
What is the InChIKey of 1-dodecyl-3-methyl-4H-quinoline?
The InChIKey is RWOQSYIQQKUIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N/c1-3-4-5-6-7-8-9-10-11-14-17-23-19-20(2)18-21-15-12-13-16-22(21)23/h12-13,15-16,19H,3-11,14,17-18H2,1-2H3.
What are the key properties of 1-dodecyl-3-methyl-4H-quinoline?
1-dodecyl-3-methyl-4H-quinoline has a molecular weight of 313.53 g/mol, XLogP of 6.87, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-3-methyl-4H-quinoline is sourced from PubChem (CID 89157959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).