2,6-dimethyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]quinoline-3-carboxamide

C20H24N4O — CID 94563352

IUPAC2,6-dimethyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]quinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NC[C@H](C)Cn3ccnc3C)cc2c1
InChIInChI=1S/C20H24N4O/c1-13-5-6-19-17(9-13)10-18(15(3)23-19)20(25)22-11-14(2)12-24-8-7-21-16(24)4/h5-10,14H,11-12H2,1-4H3,(H,22,25)/t14-/m0/s1
InChIKeyAEAOUJFCCFBTQO-AWEZNQCLSA-N
MW336.44 g/mol
LogP3.42
Rot. Bonds5

About 2,6-dimethyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]quinoline-3-carboxamide

2,6-dimethyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]quinoline-3-carboxamide (PubChem CID 94563352) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]quinoline-3-carboxamide
PubChem CID94563352
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2,6-dimethyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]quinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NC[C@H](C)Cn3ccnc3C)cc2c1
InChIInChI=1S/C20H24N4O/c1-13-5-6-19-17(9-13)10-18(15(3)23-19)20(25)22-11-14(2)12-24-8-7-21-16(24)4/h5-10,14H,11-12H2,1-4H3,(H,22,25)/t14-/m0/s1
InChIKeyAEAOUJFCCFBTQO-AWEZNQCLSA-N
XLogP3.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]benzamide
CID 120644394
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
CID 119857841
2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-3-carboxamide
CID 46991183
N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylquinoline-3-carboxamide
CID 94448585
N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 95278903
1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 110911491
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60559475
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride
CID 119857824
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3,3-diphenylpropanamide
CID 60559095
(E)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-naphthalen-1-ylprop-2-enamide
CID 60559194
N-tert-butyl-2,6-dimethylquinoline-3-carboxamide
CID 47130649
4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
CID 119857880

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]quinoline-3-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]quinoline-3-carboxamide (CID 94563352) is 2,6-dimethyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]quinoline-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]quinoline-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]quinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)NC[C@H](C)Cn3ccnc3C)cc2c1.
What is the InChIKey of 2,6-dimethyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]quinoline-3-carboxamide?
The InChIKey is AEAOUJFCCFBTQO-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N4O/c1-13-5-6-19-17(9-13)10-18(15(3)23-19)20(25)22-11-14(2)12-24-8-7-21-16(24)4/h5-10,14H,11-12H2,1-4H3,(H,22,25)/t14-/m0/s1.
What are the key properties of 2,6-dimethyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]quinoline-3-carboxamide?
2,6-dimethyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]quinoline-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]quinoline-3-carboxamide is sourced from PubChem (CID 94563352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).