N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylquinoline-3-carboxamide

C18H20N4O — CID 94448585

IUPACN-[(2S)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)N[C@@H](C)Cn3ccnc3)cc2c1
InChIInChI=1S/C18H20N4O/c1-12-4-5-17-15(8-12)9-16(14(3)21-17)18(23)20-13(2)10-22-7-6-19-11-22/h4-9,11,13H,10H2,1-3H3,(H,20,23)/t13-/m0/s1
InChIKeyILXYMJOYOSNSPI-ZDUSSCGKSA-N
MW308.39 g/mol
LogP2.87
Rot. Bonds4

About N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylquinoline-3-carboxamide

N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylquinoline-3-carboxamide (PubChem CID 94448585) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylquinoline-3-carboxamide
PubChem CID94448585
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN-[(2S)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)N[C@@H](C)Cn3ccnc3)cc2c1
InChIInChI=1S/C18H20N4O/c1-12-4-5-17-15(8-12)9-16(14(3)21-17)18(23)20-13(2)10-22-7-6-19-11-22/h4-9,11,13H,10H2,1-3H3,(H,20,23)/t13-/m0/s1
InChIKeyILXYMJOYOSNSPI-ZDUSSCGKSA-N
XLogP2.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-3-carboxamide
CID 46991183
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide
CID 65311773
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 94173055
2-fluoro-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422582
2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422583
N-butan-2-yl-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110848504
3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 54958933
N-(1-imidazol-1-ylpropan-2-yl)-5-methylthiophene-2-carboxamide
CID 47187508
2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114917693
3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-4-iodobenzamide
CID 104627718
2,6-dimethyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]quinoline-3-carboxamide
CID 94563352
2-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 62241282

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylquinoline-3-carboxamide (CID 94448585) is N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylquinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)N[C@@H](C)Cn3ccnc3)cc2c1.
What is the InChIKey of N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylquinoline-3-carboxamide?
The InChIKey is ILXYMJOYOSNSPI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-4-5-17-15(8-12)9-16(14(3)21-17)18(23)20-13(2)10-22-7-6-19-11-22/h4-9,11,13H,10H2,1-3H3,(H,20,23)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylquinoline-3-carboxamide?
N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylquinoline-3-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 94448585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).