1,3-dimethyl-N-phenyl-2,3-dihydroquinolin-4-imine

C17H18N2 — CID 3756042

IUPAC1,3-dimethyl-N-phenyl-2,3-dihydroquinolin-4-imine
SMILESCC1CN(C)c2ccccc2/C1=N/c1ccccc1
InChIInChI=1S/C17H18N2/c1-13-12-19(2)16-11-7-6-10-15(16)17(13)18-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3/b18-17+
InChIKeyHODMKYGCWCUMLU-ISLYRVAYSA-N
MW250.35 g/mol
LogP3.89
Rot. Bonds1

About 1,3-dimethyl-N-phenyl-2,3-dihydroquinolin-4-imine

1,3-dimethyl-N-phenyl-2,3-dihydroquinolin-4-imine (PubChem CID 3756042) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 1,3-dimethyl-N-phenyl-2,3-dihydroquinolin-4-imine.

Molecular Properties

Compound Name1,3-dimethyl-N-phenyl-2,3-dihydroquinolin-4-imine
PubChem CID3756042
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name1,3-dimethyl-N-phenyl-2,3-dihydroquinolin-4-imine
SMILESCC1CN(C)c2ccccc2/C1=N/c1ccccc1
InChIInChI=1S/C17H18N2/c1-13-12-19(2)16-11-7-6-10-15(16)17(13)18-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3/b18-17+
InChIKeyHODMKYGCWCUMLU-ISLYRVAYSA-N
XLogP3.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-phenyl-3-propyl-2,3-dihydroquinolin-4-imine
CID 3733511
(3R)-1,3-dimethyl-2,3-dihydroquinolin-4-one
CID 40508089
(3S)-1,3-dimethyl-2,3-dihydroindole
CID 126732143
3-bromo-1-methyl-2,3-dihydroquinolin-4-one
CID 171063228
1-methyl-3-phenyliminoindol-2-one
CID 11218587
(1,3-dimethyl-2H-benzimidazol-2-yl)-phenyldiazene
CID 71367798
2-phenylimino-3-pyrrolidin-1-ylnaphthalene-1,4-dione
CID 90745181
(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 40526138
1-methyl-2H-indol-3-one
CID 10125067
(3R)-1-methyl-2,3-dihydroindol-3-amine
CID 175654020
1-methyl-N-(4-nitrophenyl)-2H-indol-3-imine
CID 132576850
4-methyl-N,1-diphenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-imine
CID 589254

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-phenyl-2,3-dihydroquinolin-4-imine?
The IUPAC name of 1,3-dimethyl-N-phenyl-2,3-dihydroquinolin-4-imine (CID 3756042) is 1,3-dimethyl-N-phenyl-2,3-dihydroquinolin-4-imine.
What is the SMILES notation for 1,3-dimethyl-N-phenyl-2,3-dihydroquinolin-4-imine?
The canonical SMILES for 1,3-dimethyl-N-phenyl-2,3-dihydroquinolin-4-imine is CC1CN(C)c2ccccc2/C1=N/c1ccccc1.
What is the InChIKey of 1,3-dimethyl-N-phenyl-2,3-dihydroquinolin-4-imine?
The InChIKey is HODMKYGCWCUMLU-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H18N2/c1-13-12-19(2)16-11-7-6-10-15(16)17(13)18-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3/b18-17+.
What are the key properties of 1,3-dimethyl-N-phenyl-2,3-dihydroquinolin-4-imine?
1,3-dimethyl-N-phenyl-2,3-dihydroquinolin-4-imine has a molecular weight of 250.35 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-phenyl-2,3-dihydroquinolin-4-imine is sourced from PubChem (CID 3756042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).