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

C23H24N2O7 — CID 75491311

IUPAC3-[1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one
SMILESCOCc1cc(=O)c(O)c(C(CC(=O)N2CCOCC2)c2cc3ccccc3[nH]c2=O)o1
InChIInChI=1S/C23H24N2O7/c1-30-13-15-11-19(26)21(28)22(32-15)16(12-20(27)25-6-8-31-9-7-25)17-10-14-4-2-3-5-18(14)24-23(17)29/h2-5,10-11,16,28H,6-9,12-13H2,1H3,(H,24,29)
InChIKeyYBDHHYOZGZWYQO-UHFFFAOYSA-N
MW440.45 g/mol
LogP1.71
Rot. Bonds6

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

3-[1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one (PubChem CID 75491311) has the molecular formula C23H24N2O7 and a molecular weight of 440.45 g/mol. Its IUPAC name is 3-[1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one
PubChem CID75491311
Molecular FormulaC23H24N2O7
Molecular Weight440.45 g/mol
Exact Mass440.16
IUPAC Name3-[1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one
SMILESCOCc1cc(=O)c(O)c(C(CC(=O)N2CCOCC2)c2cc3ccccc3[nH]c2=O)o1
InChIInChI=1S/C23H24N2O7/c1-30-13-15-11-19(26)21(28)22(32-15)16(12-20(27)25-6-8-31-9-7-25)17-10-14-4-2-3-5-18(14)24-23(17)29/h2-5,10-11,16,28H,6-9,12-13H2,1H3,(H,24,29)
InChIKeyYBDHHYOZGZWYQO-UHFFFAOYSA-N
XLogP1.71
TPSA122.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one?
The IUPAC name of 3-[1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one (CID 75491311) is 3-[1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one is COCc1cc(=O)c(O)c(C(CC(=O)N2CCOCC2)c2cc3ccccc3[nH]c2=O)o1.
What is the InChIKey of 3-[1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one?
The InChIKey is YBDHHYOZGZWYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O7/c1-30-13-15-11-19(26)21(28)22(32-15)16(12-20(27)25-6-8-31-9-7-25)17-10-14-4-2-3-5-18(14)24-23(17)29/h2-5,10-11,16,28H,6-9,12-13H2,1H3,(H,24,29).
What are the key properties of 3-[1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one?
3-[1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one has a molecular weight of 440.45 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one is sourced from PubChem (CID 75491311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).