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

C16H22N4O — CID 79972360

IUPAC5-amino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-propan-2-yl-4H-imidazol-2-one
SMILESCC(C)N1C(=O)N=C(N)C1c1ccc2c(c1)CCCN2C
InChIInChI=1S/C16H22N4O/c1-10(2)20-14(15(17)18-16(20)21)12-6-7-13-11(9-12)5-4-8-19(13)3/h6-7,9-10,14H,4-5,8H2,1-3H3,(H2,17,18,21)
InChIKeyXXGPXTFAHZHURJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.31
Rot. Bonds2

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

5-amino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-propan-2-yl-4H-imidazol-2-one (PubChem CID 79972360) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-amino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-propan-2-yl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-propan-2-yl-4H-imidazol-2-one
PubChem CID79972360
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-amino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-propan-2-yl-4H-imidazol-2-one
SMILESCC(C)N1C(=O)N=C(N)C1c1ccc2c(c1)CCCN2C
InChIInChI=1S/C16H22N4O/c1-10(2)20-14(15(17)18-16(20)21)12-6-7-13-11(9-12)5-4-8-19(13)3/h6-7,9-10,14H,4-5,8H2,1-3H3,(H2,17,18,21)
InChIKeyXXGPXTFAHZHURJ-UHFFFAOYSA-N
XLogP2.31
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,5-dihydroimidazol-2-one
CID 79960436
5-amino-3-propan-2-yl-4-(4-propan-2-yloxyphenyl)-4H-imidazol-2-one
CID 79967942
5-amino-4-(3-methoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967392
5-amino-3-propan-2-yl-4-(3-propan-2-yloxyphenyl)-4H-imidazol-2-one
CID 79967024
2,2,2-trifluoro-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 63898475
1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde
CID 2793014
2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-6-propan-2-ylpyrimidin-4-amine
CID 62201943
1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 58575703
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-nitropropan-1-one
CID 151369049
(1S)-1-cyclohexyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine
CID 81390953
1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 118445980
3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904608

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-propan-2-yl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-propan-2-yl-4H-imidazol-2-one (CID 79972360) is 5-amino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-propan-2-yl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-propan-2-yl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-propan-2-yl-4H-imidazol-2-one is CC(C)N1C(=O)N=C(N)C1c1ccc2c(c1)CCCN2C.
What is the InChIKey of 5-amino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-propan-2-yl-4H-imidazol-2-one?
The InChIKey is XXGPXTFAHZHURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10(2)20-14(15(17)18-16(20)21)12-6-7-13-11(9-12)5-4-8-19(13)3/h6-7,9-10,14H,4-5,8H2,1-3H3,(H2,17,18,21).
What are the key properties of 5-amino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-propan-2-yl-4H-imidazol-2-one?
5-amino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-propan-2-yl-4H-imidazol-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-propan-2-yl-4H-imidazol-2-one is sourced from PubChem (CID 79972360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).