[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone

C19H20N4O — CID 110104793

IUPAC[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
SMILESCc1cn(C)c(C2CCN(C(=O)c3ccc4ncccc4c3)C2)n1
InChIInChI=1S/C19H20N4O/c1-13-11-22(2)18(21-13)16-7-9-23(12-16)19(24)15-5-6-17-14(10-15)4-3-8-20-17/h3-6,8,10-11,16H,7,9,12H2,1-2H3
InChIKeyCRLZRLFOWSOXDR-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.91
Rot. Bonds2

About [3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone

[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone (PubChem CID 110104793) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is [3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
PubChem CID110104793
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
SMILESCc1cn(C)c(C2CCN(C(=O)c3ccc4ncccc4c3)C2)n1
InChIInChI=1S/C19H20N4O/c1-13-11-22(2)18(21-13)16-7-9-23(12-16)19(24)15-5-6-17-14(10-15)4-3-8-20-17/h3-6,8,10-11,16H,7,9,12H2,1-2H3
InChIKeyCRLZRLFOWSOXDR-UHFFFAOYSA-N
XLogP2.91
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3H-benzimidazol-5-yl-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124950164
2H-benzotriazol-5-yl-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124973256
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 124964571
[(3R)-3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 95111399
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655
methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate
CID 78988205
[2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone
CID 110115591
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 124986274
[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 124972028
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 125015112
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124964372
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125027185

Frequently Asked Questions

What is the IUPAC name of [3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone?
The IUPAC name of [3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone (CID 110104793) is [3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone is Cc1cn(C)c(C2CCN(C(=O)c3ccc4ncccc4c3)C2)n1.
What is the InChIKey of [3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone?
The InChIKey is CRLZRLFOWSOXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-11-22(2)18(21-13)16-7-9-23(12-16)19(24)15-5-6-17-14(10-15)4-3-8-20-17/h3-6,8,10-11,16H,7,9,12H2,1-2H3.
What are the key properties of [3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone?
[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone has a molecular weight of 320.40 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 110104793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).