1-(2-amino-4,5-dihydroimidazol-1-yl)-3-(2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl)propan-2-one

C18H26N4O — CID 18343355

IUPAC1-(2-amino-4,5-dihydroimidazol-1-yl)-3-(2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl)propan-2-one
SMILESCC1CC(C)(C)Nc2ccc(CC(=O)CN3CCN=C3N)cc21
InChIInChI=1S/C18H26N4O/c1-12-10-18(2,3)21-16-5-4-13(9-15(12)16)8-14(23)11-22-7-6-20-17(22)19/h4-5,9,12,21H,6-8,10-11H2,1-3H3,(H2,19,20)
InChIKeyVZDALIGFJUXUNA-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.13
Rot. Bonds4

About 1-(2-amino-4,5-dihydroimidazol-1-yl)-3-(2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl)propan-2-one

1-(2-amino-4,5-dihydroimidazol-1-yl)-3-(2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl)propan-2-one (PubChem CID 18343355) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-(2-amino-4,5-dihydroimidazol-1-yl)-3-(2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-amino-4,5-dihydroimidazol-1-yl)-3-(2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl)propan-2-one
PubChem CID18343355
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-(2-amino-4,5-dihydroimidazol-1-yl)-3-(2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl)propan-2-one
SMILESCC1CC(C)(C)Nc2ccc(CC(=O)CN3CCN=C3N)cc21
InChIInChI=1S/C18H26N4O/c1-12-10-18(2,3)21-16-5-4-13(9-15(12)16)8-14(23)11-22-7-6-20-17(22)19/h4-5,9,12,21H,6-8,10-11H2,1-3H3,(H2,19,20)
InChIKeyVZDALIGFJUXUNA-UHFFFAOYSA-N
XLogP2.13
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-6-ethyl-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
CID 7823786
2,2,4,7,7,9-hexamethyl-1,3,4,6,8,9-hexahydropyrido[2,3-g]quinoline
CID 171819555
2,2,4-trimethyl-3,4-dihydro-1H-quinoline-6-carbaldehyde
CID 18937828
(4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-7-amine
CID 57265971
2,2,4-trimethyl-6-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-quinoline
CID 4596738
2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-ol
CID 59639100
[(4S)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl] 2-methoxybenzoate
CID 940871
(E)-3-(dimethylamino)-1-[(4R)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]prop-2-en-1-one
CID 125461524
(4R)-7-fluoro-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
CID 97297931
6-ethyl-4-methylspiro[3,4-dihydro-1H-quinoline-2,1'-cyclohexane]
CID 11299528
1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpiperidine-2,6-dione
CID 79507232
1-(4-fluorophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propan-2-one
CID 81103142

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,5-dihydroimidazol-1-yl)-3-(2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl)propan-2-one?
The IUPAC name of 1-(2-amino-4,5-dihydroimidazol-1-yl)-3-(2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl)propan-2-one (CID 18343355) is 1-(2-amino-4,5-dihydroimidazol-1-yl)-3-(2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl)propan-2-one.
What is the SMILES notation for 1-(2-amino-4,5-dihydroimidazol-1-yl)-3-(2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl)propan-2-one?
The canonical SMILES for 1-(2-amino-4,5-dihydroimidazol-1-yl)-3-(2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl)propan-2-one is CC1CC(C)(C)Nc2ccc(CC(=O)CN3CCN=C3N)cc21.
What is the InChIKey of 1-(2-amino-4,5-dihydroimidazol-1-yl)-3-(2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl)propan-2-one?
The InChIKey is VZDALIGFJUXUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-12-10-18(2,3)21-16-5-4-13(9-15(12)16)8-14(23)11-22-7-6-20-17(22)19/h4-5,9,12,21H,6-8,10-11H2,1-3H3,(H2,19,20).
What are the key properties of 1-(2-amino-4,5-dihydroimidazol-1-yl)-3-(2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl)propan-2-one?
1-(2-amino-4,5-dihydroimidazol-1-yl)-3-(2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl)propan-2-one has a molecular weight of 314.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,5-dihydroimidazol-1-yl)-3-(2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl)propan-2-one is sourced from PubChem (CID 18343355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).