1-methyl-N-phenyl-3-propyl-2,3-dihydroquinolin-4-imine

C19H22N2 — CID 3733511

IUPAC1-methyl-N-phenyl-3-propyl-2,3-dihydroquinolin-4-imine
SMILESCCCC1CN(C)c2ccccc2/C1=N/c1ccccc1
InChIInChI=1S/C19H22N2/c1-3-9-15-14-21(2)18-13-8-7-12-17(18)19(15)20-16-10-5-4-6-11-16/h4-8,10-13,15H,3,9,14H2,1-2H3/b20-19+
InChIKeyHZDGBELGRVSZRG-FMQUCBEESA-N
MW278.40 g/mol
LogP4.67
Rot. Bonds3

About 1-methyl-N-phenyl-3-propyl-2,3-dihydroquinolin-4-imine

1-methyl-N-phenyl-3-propyl-2,3-dihydroquinolin-4-imine (PubChem CID 3733511) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-methyl-N-phenyl-3-propyl-2,3-dihydroquinolin-4-imine.

Molecular Properties

Compound Name1-methyl-N-phenyl-3-propyl-2,3-dihydroquinolin-4-imine
PubChem CID3733511
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name1-methyl-N-phenyl-3-propyl-2,3-dihydroquinolin-4-imine
SMILESCCCC1CN(C)c2ccccc2/C1=N/c1ccccc1
InChIInChI=1S/C19H22N2/c1-3-9-15-14-21(2)18-13-8-7-12-17(18)19(15)20-16-10-5-4-6-11-16/h4-8,10-13,15H,3,9,14H2,1-2H3/b20-19+
InChIKeyHZDGBELGRVSZRG-FMQUCBEESA-N
XLogP4.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-phenyl-3-propyl-2,3-dihydroquinolin-4-imine?
The IUPAC name of 1-methyl-N-phenyl-3-propyl-2,3-dihydroquinolin-4-imine (CID 3733511) is 1-methyl-N-phenyl-3-propyl-2,3-dihydroquinolin-4-imine.
What is the SMILES notation for 1-methyl-N-phenyl-3-propyl-2,3-dihydroquinolin-4-imine?
The canonical SMILES for 1-methyl-N-phenyl-3-propyl-2,3-dihydroquinolin-4-imine is CCCC1CN(C)c2ccccc2/C1=N/c1ccccc1.
What is the InChIKey of 1-methyl-N-phenyl-3-propyl-2,3-dihydroquinolin-4-imine?
The InChIKey is HZDGBELGRVSZRG-FMQUCBEESA-N. The full InChI is InChI=1S/C19H22N2/c1-3-9-15-14-21(2)18-13-8-7-12-17(18)19(15)20-16-10-5-4-6-11-16/h4-8,10-13,15H,3,9,14H2,1-2H3/b20-19+.
What are the key properties of 1-methyl-N-phenyl-3-propyl-2,3-dihydroquinolin-4-imine?
1-methyl-N-phenyl-3-propyl-2,3-dihydroquinolin-4-imine has a molecular weight of 278.40 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-phenyl-3-propyl-2,3-dihydroquinolin-4-imine is sourced from PubChem (CID 3733511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).