3-hydroxy-6-(methoxymethyl)-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one

C23H24N2O6 — CID 75490617

IUPAC3-hydroxy-6-(methoxymethyl)-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one
SMILESCOCc1cc(=O)c(O)c(C(CC(=O)N2CCOCC2)c2ccc3ncccc3c2)o1
InChIInChI=1S/C23H24N2O6/c1-29-14-17-12-20(26)22(28)23(31-17)18(13-21(27)25-7-9-30-10-8-25)15-4-5-19-16(11-15)3-2-6-24-19/h2-6,11-12,18,28H,7-10,13-14H2,1H3
InChIKeyGUHBVDSBKGAYBH-UHFFFAOYSA-N
MW424.45 g/mol
LogP2.42
Rot. Bonds6

About 3-hydroxy-6-(methoxymethyl)-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one

3-hydroxy-6-(methoxymethyl)-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one (PubChem CID 75490617) has the molecular formula C23H24N2O6 and a molecular weight of 424.45 g/mol. Its IUPAC name is 3-hydroxy-6-(methoxymethyl)-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-6-(methoxymethyl)-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one
PubChem CID75490617
Molecular FormulaC23H24N2O6
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Name3-hydroxy-6-(methoxymethyl)-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one
SMILESCOCc1cc(=O)c(O)c(C(CC(=O)N2CCOCC2)c2ccc3ncccc3c2)o1
InChIInChI=1S/C23H24N2O6/c1-29-14-17-12-20(26)22(28)23(31-17)18(13-21(27)25-7-9-30-10-8-25)15-4-5-19-16(11-15)3-2-6-24-19/h2-6,11-12,18,28H,7-10,13-14H2,1H3
InChIKeyGUHBVDSBKGAYBH-UHFFFAOYSA-N
XLogP2.42
TPSA102.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-hydroxy-6-(methoxymethyl)-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one with MolForge

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Related Compounds

methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-quinolin-6-ylpropanoate
CID 71826098
3-hydroxy-2-[(1R)-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-6-(methoxymethyl)pyran-4-one
CID 97487886
3-hydroxy-6-(methoxymethyl)-2-[(1S)-3-morpholin-4-yl-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]pyran-4-one
CID 97488738
ethyl (3S)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-3-quinolin-6-ylpropanoate
CID 95792067
3-[1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one
CID 75491311
3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-quinolin-6-ylpropanamide
CID 110206366
5,7-dihydroxy-8-[(1R)-3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl]-2-phenylchromen-4-one
CID 97424403
3-hydroxy-6-methyl-2-[3-morpholin-4-yl-3-oxo-1-[3-(pyridin-2-ylmethoxy)phenyl]propyl]pyran-4-one
CID 75489267
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
2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-(methoxymethyl)pyran-4-one
CID 97496655
3-[(1R)-1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-6-methoxychromen-4-one
CID 97488074
methyl (3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]propanoate
CID 99984912

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(methoxymethyl)-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one?
The IUPAC name of 3-hydroxy-6-(methoxymethyl)-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one (CID 75490617) is 3-hydroxy-6-(methoxymethyl)-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one.
What is the SMILES notation for 3-hydroxy-6-(methoxymethyl)-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one?
The canonical SMILES for 3-hydroxy-6-(methoxymethyl)-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one is COCc1cc(=O)c(O)c(C(CC(=O)N2CCOCC2)c2ccc3ncccc3c2)o1.
What is the InChIKey of 3-hydroxy-6-(methoxymethyl)-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one?
The InChIKey is GUHBVDSBKGAYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6/c1-29-14-17-12-20(26)22(28)23(31-17)18(13-21(27)25-7-9-30-10-8-25)15-4-5-19-16(11-15)3-2-6-24-19/h2-6,11-12,18,28H,7-10,13-14H2,1H3.
What are the key properties of 3-hydroxy-6-(methoxymethyl)-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one?
3-hydroxy-6-(methoxymethyl)-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one has a molecular weight of 424.45 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(methoxymethyl)-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one is sourced from PubChem (CID 75490617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).