1-[(2,6-dichlorophenyl)methyl]-6-ethyl-3,4-dihydro-2H-quinoline

C18H19Cl2N — CID 594805

IUPAC1-[(2,6-dichlorophenyl)methyl]-6-ethyl-3,4-dihydro-2H-quinoline
SMILESCCc1ccc2c(c1)CCCN2Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H19Cl2N/c1-2-13-8-9-18-14(11-13)5-4-10-21(18)12-15-16(19)6-3-7-17(15)20/h3,6-9,11H,2,4-5,10,12H2,1H3
InChIKeyOCGCMDPWHKVWNS-UHFFFAOYSA-N
MW320.26 g/mol
LogP5.51
Rot. Bonds3

About 1-[(2,6-dichlorophenyl)methyl]-6-ethyl-3,4-dihydro-2H-quinoline

1-[(2,6-dichlorophenyl)methyl]-6-ethyl-3,4-dihydro-2H-quinoline (PubChem CID 594805) has the molecular formula C18H19Cl2N and a molecular weight of 320.26 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-6-ethyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-6-ethyl-3,4-dihydro-2H-quinoline
PubChem CID594805
Molecular FormulaC18H19Cl2N
Molecular Weight320.26 g/mol
Exact Mass319.09
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-6-ethyl-3,4-dihydro-2H-quinoline
SMILESCCc1ccc2c(c1)CCCN2Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H19Cl2N/c1-2-13-8-9-18-14(11-13)5-4-10-21(18)12-15-16(19)6-3-7-17(15)20/h3,6-9,11H,2,4-5,10,12H2,1H3
InChIKeyOCGCMDPWHKVWNS-UHFFFAOYSA-N
XLogP5.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.26
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-6-ethyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-6-ethyl-3,4-dihydro-2H-quinoline (CID 594805) is 1-[(2,6-dichlorophenyl)methyl]-6-ethyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-6-ethyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-6-ethyl-3,4-dihydro-2H-quinoline is CCc1ccc2c(c1)CCCN2Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-6-ethyl-3,4-dihydro-2H-quinoline?
The InChIKey is OCGCMDPWHKVWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N/c1-2-13-8-9-18-14(11-13)5-4-10-21(18)12-15-16(19)6-3-7-17(15)20/h3,6-9,11H,2,4-5,10,12H2,1H3.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-6-ethyl-3,4-dihydro-2H-quinoline?
1-[(2,6-dichlorophenyl)methyl]-6-ethyl-3,4-dihydro-2H-quinoline has a molecular weight of 320.26 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-6-ethyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 594805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).