2-chloro-N-(2,6-diethylphenyl)-6,7-dihydro-5H-quinolin-8-imine

C19H21ClN2 — CID 102417044

IUPAC2-chloro-N-(2,6-diethylphenyl)-6,7-dihydro-5H-quinolin-8-imine
SMILESCCc1cccc(CC)c1/N=C1\CCCc2ccc(Cl)nc21
InChIInChI=1S/C19H21ClN2/c1-3-13-7-5-8-14(4-2)18(13)21-16-10-6-9-15-11-12-17(20)22-19(15)16/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3/b21-16+
InChIKeyUHXNREXMLYHBGM-LTGZKZEYSA-N
MW312.84 g/mol
LogP5.32
Rot. Bonds3

About 2-chloro-N-(2,6-diethylphenyl)-6,7-dihydro-5H-quinolin-8-imine

2-chloro-N-(2,6-diethylphenyl)-6,7-dihydro-5H-quinolin-8-imine (PubChem CID 102417044) has the molecular formula C19H21ClN2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-chloro-N-(2,6-diethylphenyl)-6,7-dihydro-5H-quinolin-8-imine.

Molecular Properties

Compound Name2-chloro-N-(2,6-diethylphenyl)-6,7-dihydro-5H-quinolin-8-imine
PubChem CID102417044
Molecular FormulaC19H21ClN2
Molecular Weight312.84 g/mol
Exact Mass312.14
IUPAC Name2-chloro-N-(2,6-diethylphenyl)-6,7-dihydro-5H-quinolin-8-imine
SMILESCCc1cccc(CC)c1/N=C1\CCCc2ccc(Cl)nc21
InChIInChI=1S/C19H21ClN2/c1-3-13-7-5-8-14(4-2)18(13)21-16-10-6-9-15-11-12-17(20)22-19(15)16/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3/b21-16+
InChIKeyUHXNREXMLYHBGM-LTGZKZEYSA-N
XLogP5.32
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.84
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-diethylphenyl)-6,7-dihydro-5H-quinolin-8-imine?
The IUPAC name of 2-chloro-N-(2,6-diethylphenyl)-6,7-dihydro-5H-quinolin-8-imine (CID 102417044) is 2-chloro-N-(2,6-diethylphenyl)-6,7-dihydro-5H-quinolin-8-imine.
What is the SMILES notation for 2-chloro-N-(2,6-diethylphenyl)-6,7-dihydro-5H-quinolin-8-imine?
The canonical SMILES for 2-chloro-N-(2,6-diethylphenyl)-6,7-dihydro-5H-quinolin-8-imine is CCc1cccc(CC)c1/N=C1\CCCc2ccc(Cl)nc21.
What is the InChIKey of 2-chloro-N-(2,6-diethylphenyl)-6,7-dihydro-5H-quinolin-8-imine?
The InChIKey is UHXNREXMLYHBGM-LTGZKZEYSA-N. The full InChI is InChI=1S/C19H21ClN2/c1-3-13-7-5-8-14(4-2)18(13)21-16-10-6-9-15-11-12-17(20)22-19(15)16/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3/b21-16+.
What are the key properties of 2-chloro-N-(2,6-diethylphenyl)-6,7-dihydro-5H-quinolin-8-imine?
2-chloro-N-(2,6-diethylphenyl)-6,7-dihydro-5H-quinolin-8-imine has a molecular weight of 312.84 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-diethylphenyl)-6,7-dihydro-5H-quinolin-8-imine is sourced from PubChem (CID 102417044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).