4,5-dichloro-2-(2,6-diethylphenyl)-5,6,7,8-tetrahydroquinoline

C19H21Cl2N — CID 68849768

IUPAC4,5-dichloro-2-(2,6-diethylphenyl)-5,6,7,8-tetrahydroquinoline
SMILESCCc1cccc(CC)c1-c1cc(Cl)c2c(n1)CCCC2Cl
InChIInChI=1S/C19H21Cl2N/c1-3-12-7-5-8-13(4-2)18(12)17-11-15(21)19-14(20)9-6-10-16(19)22-17/h5,7-8,11,14H,3-4,6,9-10H2,1-2H3
InChIKeySWQLPMKNSHOXNJ-UHFFFAOYSA-N
MW334.29 g/mol
LogP6.14
Rot. Bonds3

About 4,5-dichloro-2-(2,6-diethylphenyl)-5,6,7,8-tetrahydroquinoline

4,5-dichloro-2-(2,6-diethylphenyl)-5,6,7,8-tetrahydroquinoline (PubChem CID 68849768) has the molecular formula C19H21Cl2N and a molecular weight of 334.29 g/mol. Its IUPAC name is 4,5-dichloro-2-(2,6-diethylphenyl)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name4,5-dichloro-2-(2,6-diethylphenyl)-5,6,7,8-tetrahydroquinoline
PubChem CID68849768
Molecular FormulaC19H21Cl2N
Molecular Weight334.29 g/mol
Exact Mass333.11
IUPAC Name4,5-dichloro-2-(2,6-diethylphenyl)-5,6,7,8-tetrahydroquinoline
SMILESCCc1cccc(CC)c1-c1cc(Cl)c2c(n1)CCCC2Cl
InChIInChI=1S/C19H21Cl2N/c1-3-12-7-5-8-13(4-2)18(12)17-11-15(21)19-14(20)9-6-10-16(19)22-17/h5,7-8,11,14H,3-4,6,9-10H2,1-2H3
InChIKeySWQLPMKNSHOXNJ-UHFFFAOYSA-N
XLogP6.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.29
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(2,6-diethylphenyl)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 4,5-dichloro-2-(2,6-diethylphenyl)-5,6,7,8-tetrahydroquinoline (CID 68849768) is 4,5-dichloro-2-(2,6-diethylphenyl)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 4,5-dichloro-2-(2,6-diethylphenyl)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 4,5-dichloro-2-(2,6-diethylphenyl)-5,6,7,8-tetrahydroquinoline is CCc1cccc(CC)c1-c1cc(Cl)c2c(n1)CCCC2Cl.
What is the InChIKey of 4,5-dichloro-2-(2,6-diethylphenyl)-5,6,7,8-tetrahydroquinoline?
The InChIKey is SWQLPMKNSHOXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N/c1-3-12-7-5-8-13(4-2)18(12)17-11-15(21)19-14(20)9-6-10-16(19)22-17/h5,7-8,11,14H,3-4,6,9-10H2,1-2H3.
What are the key properties of 4,5-dichloro-2-(2,6-diethylphenyl)-5,6,7,8-tetrahydroquinoline?
4,5-dichloro-2-(2,6-diethylphenyl)-5,6,7,8-tetrahydroquinoline has a molecular weight of 334.29 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(2,6-diethylphenyl)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 68849768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).