3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-quinolin-6-ylpropanamide

C23H25N3O4 — CID 110206366

IUPAC3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-quinolin-6-ylpropanamide
SMILESNC(=O)CC(c1ccc2ncccc2c1)c1oc(CN2CCCCC2)cc(=O)c1O
InChIInChI=1S/C23H25N3O4/c24-21(28)13-18(15-6-7-19-16(11-15)5-4-8-25-19)23-22(29)20(27)12-17(30-23)14-26-9-2-1-3-10-26/h4-8,11-12,18,29H,1-3,9-10,13-14H2,(H2,24,28)
InChIKeyAETXLWVGSXFUOM-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.89
Rot. Bonds6

About 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-quinolin-6-ylpropanamide

3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-quinolin-6-ylpropanamide (PubChem CID 110206366) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-quinolin-6-ylpropanamide.

Molecular Properties

Compound Name3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-quinolin-6-ylpropanamide
PubChem CID110206366
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-quinolin-6-ylpropanamide
SMILESNC(=O)CC(c1ccc2ncccc2c1)c1oc(CN2CCCCC2)cc(=O)c1O
InChIInChI=1S/C23H25N3O4/c24-21(28)13-18(15-6-7-19-16(11-15)5-4-8-25-19)23-22(29)20(27)12-17(30-23)14-26-9-2-1-3-10-26/h4-8,11-12,18,29H,1-3,9-10,13-14H2,(H2,24,28)
InChIKeyAETXLWVGSXFUOM-UHFFFAOYSA-N
XLogP2.89
TPSA109.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[6-(Morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxy-2-[7-(trifluoromethyl)quinolin-4-yl]pentanamide
CID 87246807
1-Hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide
CID 117602834
3-Hydroxy-2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyliminomethyl]-5-quinolin-4-ylcyclohex-2-en-1-one
CID 146459644
4-Morpholin-4-yl-2-quinolin-6-ylbut-2-enamide
CID 174685661
3-hydroxy-2-quinolin-6-yl-1H-quinolin-4-one
CID 175227633
[2-(4-Carbamoylpiperidin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate
CID 46696715
ethyl 3-(3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl)-3-(quinolin-6-yl)propanoate
CID 71753365
methyl 3-(3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl)-3-(quinolin-6-yl)propanoate
CID 71826098
3-hydroxy-6-methyl-2-(3-morpholino-3-oxo-1-(quinolin-4-yl)propyl)-4H-pyran-4-one
CID 71826402
3-hydroxy-6-methyl-2-(3-morpholino-3-oxo-1-(quinolin-6-yl)propyl)-4H-pyran-4-one
CID 71826486
methyl 3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-(quinolin-6-yl)propanoate
CID 71826541
3-hydroxy-6-methyl-2-(3-morpholino-3-oxo-1-(quinoxalin-5-yl)propyl)-4H-pyran-4-one
CID 71828488

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-quinolin-6-ylpropanamide?
The IUPAC name of 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-quinolin-6-ylpropanamide (CID 110206366) is 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-quinolin-6-ylpropanamide.
What is the SMILES notation for 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-quinolin-6-ylpropanamide?
The canonical SMILES for 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-quinolin-6-ylpropanamide is NC(=O)CC(c1ccc2ncccc2c1)c1oc(CN2CCCCC2)cc(=O)c1O.
What is the InChIKey of 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-quinolin-6-ylpropanamide?
The InChIKey is AETXLWVGSXFUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c24-21(28)13-18(15-6-7-19-16(11-15)5-4-8-25-19)23-22(29)20(27)12-17(30-23)14-26-9-2-1-3-10-26/h4-8,11-12,18,29H,1-3,9-10,13-14H2,(H2,24,28).
What are the key properties of 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-quinolin-6-ylpropanamide?
3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-quinolin-6-ylpropanamide has a molecular weight of 407.47 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-quinolin-6-ylpropanamide is sourced from PubChem (CID 110206366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).