5-chloro-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-8-methylquinolin-2-amine

C17H19ClN4 — CID 97257201

IUPAC5-chloro-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-8-methylquinolin-2-amine
SMILESCc1ccc(Cl)c2ccc(NC[C@@H](C)Cn3ccnc3)nc12
InChIInChI=1S/C17H19ClN4/c1-12(10-22-8-7-19-11-22)9-20-16-6-4-14-15(18)5-3-13(2)17(14)21-16/h3-8,11-12H,9-10H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyVRHZMLQXQAESEN-GFCCVEGCSA-N
MW314.82 g/mol
LogP4.14
Rot. Bonds5

About 5-chloro-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-8-methylquinolin-2-amine

5-chloro-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-8-methylquinolin-2-amine (PubChem CID 97257201) has the molecular formula C17H19ClN4 and a molecular weight of 314.82 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-8-methylquinolin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-8-methylquinolin-2-amine
PubChem CID97257201
Molecular FormulaC17H19ClN4
Molecular Weight314.82 g/mol
Exact Mass314.13
IUPAC Name5-chloro-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-8-methylquinolin-2-amine
SMILESCc1ccc(Cl)c2ccc(NC[C@@H](C)Cn3ccnc3)nc12
InChIInChI=1S/C17H19ClN4/c1-12(10-22-8-7-19-11-22)9-20-16-6-4-14-15(18)5-3-13(2)17(14)21-16/h3-8,11-12H,9-10H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyVRHZMLQXQAESEN-GFCCVEGCSA-N
XLogP4.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-imidazol-1-yl-2-methylpropyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 136522247
N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-4-methyl-5-nitropyridin-2-amine
CID 124505464
2-tert-butyl-N-(3-imidazol-1-yl-2-methylpropyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 75426536
(2R)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-imidazol-1-yl-3-methylbutan-2-amine
CID 95205742
3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-(methylamino)pyridine-2-carboxamide
CID 62178273
1-[(2-chlorophenyl)methyl]-3-[(2S)-3-imidazol-1-yl-2-methylpropyl]urea
CID 95598107
N-(3-imidazol-1-yl-2-methylpropyl)-6-iodoquinazolin-4-amine
CID 133318616
1-(2-methylbutyl)imidazole
CID 59161437
2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 62341885
N-(5-chloro-8-methylquinolin-2-yl)-2-(tetrazol-1-yl)acetamide
CID 86782318
N-(3-imidazol-1-ylpropyl)-5-methyl-1,6-naphthyridin-2-amine
CID 154338498
3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine
CID 82239276

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-8-methylquinolin-2-amine?
The IUPAC name of 5-chloro-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-8-methylquinolin-2-amine (CID 97257201) is 5-chloro-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-8-methylquinolin-2-amine.
What is the SMILES notation for 5-chloro-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-8-methylquinolin-2-amine?
The canonical SMILES for 5-chloro-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-8-methylquinolin-2-amine is Cc1ccc(Cl)c2ccc(NC[C@@H](C)Cn3ccnc3)nc12.
What is the InChIKey of 5-chloro-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-8-methylquinolin-2-amine?
The InChIKey is VRHZMLQXQAESEN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19ClN4/c1-12(10-22-8-7-19-11-22)9-20-16-6-4-14-15(18)5-3-13(2)17(14)21-16/h3-8,11-12H,9-10H2,1-2H3,(H,20,21)/t12-/m1/s1.
What are the key properties of 5-chloro-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-8-methylquinolin-2-amine?
5-chloro-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-8-methylquinolin-2-amine has a molecular weight of 314.82 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-8-methylquinolin-2-amine is sourced from PubChem (CID 97257201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).