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

C13H16N4O — CID 79960436

IUPAC4-amino-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,5-dihydroimidazol-2-one
SMILESCN1CCCc2cc(C3NC(=O)N=C3N)ccc21
InChIInChI=1S/C13H16N4O/c1-17-6-2-3-8-7-9(4-5-10(8)17)11-12(14)16-13(18)15-11/h4-5,7,11H,2-3,6H2,1H3,(H3,14,15,16,18)
InChIKeyOZIUMDGQVLMPAE-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.19
Rot. Bonds1

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

4-amino-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,5-dihydroimidazol-2-one (PubChem CID 79960436) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-amino-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,5-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,5-dihydroimidazol-2-one
PubChem CID79960436
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-amino-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,5-dihydroimidazol-2-one
SMILESCN1CCCc2cc(C3NC(=O)N=C3N)ccc21
InChIInChI=1S/C13H16N4O/c1-17-6-2-3-8-7-9(4-5-10(8)17)11-12(14)16-13(18)15-11/h4-5,7,11H,2-3,6H2,1H3,(H3,14,15,16,18)
InChIKeyOZIUMDGQVLMPAE-UHFFFAOYSA-N
XLogP1.19
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-propan-2-yl-4H-imidazol-2-one
CID 79972360
4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one
CID 138389471
5-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazinane
CID 66227743
1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde
CID 2793014
5-bromo-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrimidin-6-one
CID 66312584
1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 118445980
2,2,2-trifluoro-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 63898475
ethane;1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4-[2-(4-methylphenyl)ethyl]pyrrolidin-3-one
CID 143822837
ethyl (4S)-2,7,7-trimethyl-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate
CID 6964714
1-methyl-6-(2-piperidin-4-ylethyl)-3,4-dihydro-2H-quinoline
CID 62095616
fluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 142338422
2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine
CID 25219747

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,5-dihydroimidazol-2-one?
The IUPAC name of 4-amino-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,5-dihydroimidazol-2-one (CID 79960436) is 4-amino-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,5-dihydroimidazol-2-one.
What is the SMILES notation for 4-amino-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,5-dihydroimidazol-2-one?
The canonical SMILES for 4-amino-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,5-dihydroimidazol-2-one is CN1CCCc2cc(C3NC(=O)N=C3N)ccc21.
What is the InChIKey of 4-amino-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,5-dihydroimidazol-2-one?
The InChIKey is OZIUMDGQVLMPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17-6-2-3-8-7-9(4-5-10(8)17)11-12(14)16-13(18)15-11/h4-5,7,11H,2-3,6H2,1H3,(H3,14,15,16,18).
What are the key properties of 4-amino-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,5-dihydroimidazol-2-one?
4-amino-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,5-dihydroimidazol-2-one has a molecular weight of 244.30 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,5-dihydroimidazol-2-one is sourced from PubChem (CID 79960436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).