(3S)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanamide

C23H24N2O8 — CID 124879047

IUPAC(3S)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanamide
SMILESCOc1ccc2occ([C@H](CC(N)=O)c3oc(CN4CCOCC4)cc(=O)c3O)c(=O)c2c1
InChIInChI=1S/C23H24N2O8/c1-30-13-2-3-19-16(8-13)21(28)17(12-32-19)15(10-20(24)27)23-22(29)18(26)9-14(33-23)11-25-4-6-31-7-5-25/h2-3,8-9,12,15,29H,4-7,10-11H2,1H3,(H2,24,27)/t15-/m0/s1
InChIKeyPEPIVKFOBSEFOV-HNNXBMFYSA-N
MW456.45 g/mol
LogP1.30
Rot. Bonds7

About (3S)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanamide

(3S)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanamide (PubChem CID 124879047) has the molecular formula C23H24N2O8 and a molecular weight of 456.45 g/mol. Its IUPAC name is (3S)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanamide.

Molecular Properties

Compound Name(3S)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanamide
PubChem CID124879047
Molecular FormulaC23H24N2O8
Molecular Weight456.45 g/mol
Exact Mass456.15
IUPAC Name(3S)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanamide
SMILESCOc1ccc2occ([C@H](CC(N)=O)c3oc(CN4CCOCC4)cc(=O)c3O)c(=O)c2c1
InChIInChI=1S/C23H24N2O8/c1-30-13-2-3-19-16(8-13)21(28)17(12-32-19)15(10-20(24)27)23-22(29)18(26)9-14(33-23)11-25-4-6-31-7-5-25/h2-3,8-9,12,15,29H,4-7,10-11H2,1H3,(H2,24,27)/t15-/m0/s1
InChIKeyPEPIVKFOBSEFOV-HNNXBMFYSA-N
XLogP1.30
TPSA145.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(3S)-3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanamide
CID 99994131
3-[(1R)-1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-6-methoxychromen-4-one
CID 97488074
methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanoate
CID 71827297
methyl (3S)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(6-methoxy-4-oxochromen-3-yl)propanoate
CID 97425350
methyl (3R)-3-[3-hydroxy-4-oxo-6-[[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]pyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanoate
CID 124939003
(3R)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-(2,4,5-trimethoxyphenyl)propanamide
CID 124875206
methyl (3S)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-phenylpropanoate
CID 99996401
(3R)-3-(3,4-dimethoxyphenyl)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]propanamide
CID 124876743
methyl 3-(2,4-dimethoxyphenyl)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]propanoate
CID 91637779
3-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-oxo-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]-6-methoxychromen-4-one
CID 91638323
5,6,7-trihydroxy-8-[(1R)-1-(6-methoxy-4-oxochromen-3-yl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one
CID 99987389
(3S)-3-(3-hydroxy-4-methoxyphenyl)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]propanamide
CID 124878469

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanamide?
The IUPAC name of (3S)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanamide (CID 124879047) is (3S)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanamide.
What is the SMILES notation for (3S)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanamide?
The canonical SMILES for (3S)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanamide is COc1ccc2occ([C@H](CC(N)=O)c3oc(CN4CCOCC4)cc(=O)c3O)c(=O)c2c1.
What is the InChIKey of (3S)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanamide?
The InChIKey is PEPIVKFOBSEFOV-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H24N2O8/c1-30-13-2-3-19-16(8-13)21(28)17(12-32-19)15(10-20(24)27)23-22(29)18(26)9-14(33-23)11-25-4-6-31-7-5-25/h2-3,8-9,12,15,29H,4-7,10-11H2,1H3,(H2,24,27)/t15-/m0/s1.
What are the key properties of (3S)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanamide?
(3S)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanamide has a molecular weight of 456.45 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanamide is sourced from PubChem (CID 124879047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).