3-[(1R)-1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-6-methoxychromen-4-one

C24H25NO9 — CID 97488074

IUPAC3-[(1R)-1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-6-methoxychromen-4-one
SMILESCOCc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2coc3ccc(OC)cc3c2=O)o1
InChIInChI=1S/C24H25NO9/c1-30-12-15-10-19(26)23(29)24(34-15)16(11-21(27)25-5-7-32-8-6-25)18-13-33-20-4-3-14(31-2)9-17(20)22(18)28/h3-4,9-10,13,16,29H,5-8,11-12H2,1-2H3/t16-/m1/s1
InChIKeySDKVWQVEAXJXIR-MRXNPFEDSA-N
MW471.46 g/mol
LogP1.99
Rot. Bonds7

About 3-[(1R)-1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-6-methoxychromen-4-one

3-[(1R)-1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-6-methoxychromen-4-one (PubChem CID 97488074) has the molecular formula C24H25NO9 and a molecular weight of 471.46 g/mol. Its IUPAC name is 3-[(1R)-1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-6-methoxychromen-4-one.

Molecular Properties

Compound Name3-[(1R)-1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-6-methoxychromen-4-one
PubChem CID97488074
Molecular FormulaC24H25NO9
Molecular Weight471.46 g/mol
Exact Mass471.15
IUPAC Name3-[(1R)-1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-6-methoxychromen-4-one
SMILESCOCc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2coc3ccc(OC)cc3c2=O)o1
InChIInChI=1S/C24H25NO9/c1-30-12-15-10-19(26)23(29)24(34-15)16(11-21(27)25-5-7-32-8-6-25)18-13-33-20-4-3-14(31-2)9-17(20)22(18)28/h3-4,9-10,13,16,29H,5-8,11-12H2,1-2H3/t16-/m1/s1
InChIKeySDKVWQVEAXJXIR-MRXNPFEDSA-N
XLogP1.99
TPSA128.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanoate
CID 71827297
(3S)-3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanamide
CID 99994131
(3S)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanamide
CID 124879047
3-[(1R)-1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-7-methoxy-1H-quinolin-2-one
CID 97489168
3-hydroxy-6-(methoxymethyl)-2-[(1S)-3-morpholin-4-yl-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]pyran-4-one
CID 97488738
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
methyl (3S)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(6-methoxy-4-oxochromen-3-yl)propanoate
CID 97425350
3-hydroxy-2-[(1R)-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-6-(methoxymethyl)pyran-4-one
CID 97487886
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
3-[(1S)-1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-oxo-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]chromen-4-one
CID 99997040
2-[(1R)-1-(3,4-difluorophenyl)-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-(methoxymethyl)pyran-4-one
CID 97496983
3-[1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one
CID 75491311

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-6-methoxychromen-4-one?
The IUPAC name of 3-[(1R)-1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-6-methoxychromen-4-one (CID 97488074) is 3-[(1R)-1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-6-methoxychromen-4-one.
What is the SMILES notation for 3-[(1R)-1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-6-methoxychromen-4-one?
The canonical SMILES for 3-[(1R)-1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-6-methoxychromen-4-one is COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2coc3ccc(OC)cc3c2=O)o1.
What is the InChIKey of 3-[(1R)-1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-6-methoxychromen-4-one?
The InChIKey is SDKVWQVEAXJXIR-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H25NO9/c1-30-12-15-10-19(26)23(29)24(34-15)16(11-21(27)25-5-7-32-8-6-25)18-13-33-20-4-3-14(31-2)9-17(20)22(18)28/h3-4,9-10,13,16,29H,5-8,11-12H2,1-2H3/t16-/m1/s1.
What are the key properties of 3-[(1R)-1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-6-methoxychromen-4-one?
3-[(1R)-1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-6-methoxychromen-4-one has a molecular weight of 471.46 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-6-methoxychromen-4-one is sourced from PubChem (CID 97488074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).