(4R)-4-(1H-imidazol-2-yl)-1-methyl-3,4-dihydro-2H-quinoline

C13H15N3 — CID 124562345

IUPAC(4R)-4-(1H-imidazol-2-yl)-1-methyl-3,4-dihydro-2H-quinoline
SMILESCN1CC[C@@H](c2ncc[nH]2)c2ccccc21
InChIInChI=1S/C13H15N3/c1-16-9-6-11(13-14-7-8-15-13)10-4-2-3-5-12(10)16/h2-5,7-8,11H,6,9H2,1H3,(H,14,15)/t11-/m1/s1
InChIKeyLEVUENQXPLELPH-LLVKDONJSA-N
MW213.28 g/mol
LogP2.38
Rot. Bonds1

About (4R)-4-(1H-imidazol-2-yl)-1-methyl-3,4-dihydro-2H-quinoline

(4R)-4-(1H-imidazol-2-yl)-1-methyl-3,4-dihydro-2H-quinoline (PubChem CID 124562345) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (4R)-4-(1H-imidazol-2-yl)-1-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(4R)-4-(1H-imidazol-2-yl)-1-methyl-3,4-dihydro-2H-quinoline
PubChem CID124562345
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name(4R)-4-(1H-imidazol-2-yl)-1-methyl-3,4-dihydro-2H-quinoline
SMILESCN1CC[C@@H](c2ncc[nH]2)c2ccccc21
InChIInChI=1S/C13H15N3/c1-16-9-6-11(13-14-7-8-15-13)10-4-2-3-5-12(10)16/h2-5,7-8,11H,6,9H2,1H3,(H,14,15)/t11-/m1/s1
InChIKeyLEVUENQXPLELPH-LLVKDONJSA-N
XLogP2.38
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline
CID 38988807
1-methyl-4-(2H-tetrazol-5-yl)-3,4-dihydro-2H-quinoline
CID 167923299
ethane;1-methyl-3,4-dihydro-2H-quinolin-4-amine
CID 142426417
4-methoxy-1-methyl-3,4-dihydro-2H-quinoline
CID 15531030
2-[4-(ethoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole
CID 44571842
1-methyl-N-(5-methylpyrimidin-2-yl)-3,4-dihydro-2H-quinolin-4-amine
CID 170403121
2-(1-methylidene-3,4-dihydro-2H-naphthalen-2-yl)-1H-imidazole
CID 69020024
(2S)-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 96902399
1,5-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82647084
1-[[1-(1H-imidazol-2-yl)-2,3-dihydro-1H-inden-4-yl]methyl]triazole
CID 44571890
N-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride
CID 175798453
2-[(1S)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-imidazole
CID 124562353

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1H-imidazol-2-yl)-1-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of (4R)-4-(1H-imidazol-2-yl)-1-methyl-3,4-dihydro-2H-quinoline (CID 124562345) is (4R)-4-(1H-imidazol-2-yl)-1-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (4R)-4-(1H-imidazol-2-yl)-1-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for (4R)-4-(1H-imidazol-2-yl)-1-methyl-3,4-dihydro-2H-quinoline is CN1CC[C@@H](c2ncc[nH]2)c2ccccc21.
What is the InChIKey of (4R)-4-(1H-imidazol-2-yl)-1-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is LEVUENQXPLELPH-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15N3/c1-16-9-6-11(13-14-7-8-15-13)10-4-2-3-5-12(10)16/h2-5,7-8,11H,6,9H2,1H3,(H,14,15)/t11-/m1/s1.
What are the key properties of (4R)-4-(1H-imidazol-2-yl)-1-methyl-3,4-dihydro-2H-quinoline?
(4R)-4-(1H-imidazol-2-yl)-1-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 213.28 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1H-imidazol-2-yl)-1-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 124562345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).