1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-ethylimidazol-1-yl)-2-methylpropan-1-one

C23H29N5O — CID 110222607

IUPAC1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-ethylimidazol-1-yl)-2-methylpropan-1-one
SMILESCCc1nccn1CC(C)C(=O)N1CCCC(c2nc3ccccc3cc2N)C1
InChIInChI=1S/C23H29N5O/c1-3-21-25-10-12-27(21)14-16(2)23(29)28-11-6-8-18(15-28)22-19(24)13-17-7-4-5-9-20(17)26-22/h4-5,7,9-10,12-13,16,18H,3,6,8,11,14-15,24H2,1-2H3
InChIKeyTWWJUPLSOZVZBT-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.62
Rot. Bonds5

About 1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-ethylimidazol-1-yl)-2-methylpropan-1-one

1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-ethylimidazol-1-yl)-2-methylpropan-1-one (PubChem CID 110222607) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-ethylimidazol-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-ethylimidazol-1-yl)-2-methylpropan-1-one
PubChem CID110222607
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-ethylimidazol-1-yl)-2-methylpropan-1-one
SMILESCCc1nccn1CC(C)C(=O)N1CCCC(c2nc3ccccc3cc2N)C1
InChIInChI=1S/C23H29N5O/c1-3-21-25-10-12-27(21)14-16(2)23(29)28-11-6-8-18(15-28)22-19(24)13-17-7-4-5-9-20(17)26-22/h4-5,7,9-10,12-13,16,18H,3,6,8,11,14-15,24H2,1-2H3
InChIKeyTWWJUPLSOZVZBT-UHFFFAOYSA-N
XLogP3.62
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-ethylimidazol-1-yl)-2-methylpropan-1-one with MolForge

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Related Compounds

(2S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-one
CID 92603216
(3S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 92602854
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 92552858
(2R)-3-(2-ethylimidazol-1-yl)-2-methyl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 124981712
4-[3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 110222610
(4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 92606329
2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97269025
1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(4-fluorophenyl)sulfonylpropan-1-one
CID 110222612
1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-(2-ethylimidazol-1-yl)-2-methylpropan-1-one
CID 46970094
2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238262
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 92583939
(2S)-1-[(2S)-2-(azepan-1-ylmethyl)piperidin-1-yl]-3-(2-ethylimidazol-1-yl)-2-methylpropan-1-one
CID 92589468

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-ethylimidazol-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-ethylimidazol-1-yl)-2-methylpropan-1-one (CID 110222607) is 1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-ethylimidazol-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-ethylimidazol-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-ethylimidazol-1-yl)-2-methylpropan-1-one is CCc1nccn1CC(C)C(=O)N1CCCC(c2nc3ccccc3cc2N)C1.
What is the InChIKey of 1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-ethylimidazol-1-yl)-2-methylpropan-1-one?
The InChIKey is TWWJUPLSOZVZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-3-21-25-10-12-27(21)14-16(2)23(29)28-11-6-8-18(15-28)22-19(24)13-17-7-4-5-9-20(17)26-22/h4-5,7,9-10,12-13,16,18H,3,6,8,11,14-15,24H2,1-2H3.
What are the key properties of 1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-ethylimidazol-1-yl)-2-methylpropan-1-one?
1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-ethylimidazol-1-yl)-2-methylpropan-1-one has a molecular weight of 391.52 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-ethylimidazol-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 110222607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).