1-(3-ethylphenyl)-3,4-dihydro-2H-quinoline

C17H19N — CID 67553271

IUPAC1-(3-ethylphenyl)-3,4-dihydro-2H-quinoline
SMILESCCc1cccc(N2CCCc3ccccc32)c1
InChIInChI=1S/C17H19N/c1-2-14-7-5-10-16(13-14)18-12-6-9-15-8-3-4-11-17(15)18/h3-5,7-8,10-11,13H,2,6,9,12H2,1H3
InChIKeyVIHQTWDEVWVFSU-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.33
Rot. Bonds2

About 1-(3-ethylphenyl)-3,4-dihydro-2H-quinoline

1-(3-ethylphenyl)-3,4-dihydro-2H-quinoline (PubChem CID 67553271) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(3-ethylphenyl)-3,4-dihydro-2H-quinoline
PubChem CID67553271
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name1-(3-ethylphenyl)-3,4-dihydro-2H-quinoline
SMILESCCc1cccc(N2CCCc3ccccc32)c1
InChIInChI=1S/C17H19N/c1-2-14-7-5-10-16(13-14)18-12-6-9-15-8-3-4-11-17(15)18/h3-5,7-8,10-11,13H,2,6,9,12H2,1H3
InChIKeyVIHQTWDEVWVFSU-UHFFFAOYSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(3-ethylphenyl)-3,4-dihydro-2H-quinoline (CID 67553271) is 1-(3-ethylphenyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(3-ethylphenyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(3-ethylphenyl)-3,4-dihydro-2H-quinoline is CCc1cccc(N2CCCc3ccccc32)c1.
What is the InChIKey of 1-(3-ethylphenyl)-3,4-dihydro-2H-quinoline?
The InChIKey is VIHQTWDEVWVFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-2-14-7-5-10-16(13-14)18-12-6-9-15-8-3-4-11-17(15)18/h3-5,7-8,10-11,13H,2,6,9,12H2,1H3.
What are the key properties of 1-(3-ethylphenyl)-3,4-dihydro-2H-quinoline?
1-(3-ethylphenyl)-3,4-dihydro-2H-quinoline has a molecular weight of 237.35 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 67553271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).