3-[(1S)-1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-morpholin-4-yl-3-oxopropyl]-1-methylquinolin-2-one

C23H24N2O6 — CID 97423712

IUPAC3-[(1S)-1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-morpholin-4-yl-3-oxopropyl]-1-methylquinolin-2-one
SMILESCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2cc3ccccc3n(C)c2=O)o1
InChIInChI=1S/C23H24N2O6/c1-14-11-19(26)21(28)22(31-14)16(13-20(27)25-7-9-30-10-8-25)17-12-15-5-3-4-6-18(15)24(2)23(17)29/h3-6,11-12,16,28H,7-10,13H2,1-2H3/t16-/m0/s1
InChIKeyNCKDHKORTJSRRM-INIZCTEOSA-N
MW424.45 g/mol
LogP1.89
Rot. Bonds4

About 3-[(1S)-1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-morpholin-4-yl-3-oxopropyl]-1-methylquinolin-2-one

3-[(1S)-1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-morpholin-4-yl-3-oxopropyl]-1-methylquinolin-2-one (PubChem CID 97423712) has the molecular formula C23H24N2O6 and a molecular weight of 424.45 g/mol. Its IUPAC name is 3-[(1S)-1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-morpholin-4-yl-3-oxopropyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-[(1S)-1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-morpholin-4-yl-3-oxopropyl]-1-methylquinolin-2-one
PubChem CID97423712
Molecular FormulaC23H24N2O6
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Name3-[(1S)-1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-morpholin-4-yl-3-oxopropyl]-1-methylquinolin-2-one
SMILESCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2cc3ccccc3n(C)c2=O)o1
InChIInChI=1S/C23H24N2O6/c1-14-11-19(26)21(28)22(31-14)16(13-20(27)25-7-9-30-10-8-25)17-12-15-5-3-4-6-18(15)24(2)23(17)29/h3-6,11-12,16,28H,7-10,13H2,1-2H3/t16-/m0/s1
InChIKeyNCKDHKORTJSRRM-INIZCTEOSA-N
XLogP1.89
TPSA101.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-hydroxy-6-methyl-2-[(1S)-1-(1-methylpyrazol-4-yl)-3-morpholin-4-yl-3-oxopropyl]pyran-4-one
CID 97425826
3-hydroxy-6-methyl-2-[(1S)-3-morpholin-4-yl-3-oxo-1-(1-propan-2-ylpyrazol-4-yl)propyl]pyran-4-one
CID 97426182
3-[1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one
CID 75491311
3-hydroxy-6-methyl-2-[3-morpholin-4-yl-3-oxo-1-[3-(pyridin-2-ylmethoxy)phenyl]propyl]pyran-4-one
CID 75489267
3-[(1S)-1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-oxo-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]-1H-quinolin-2-one
CID 99992215
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-2-[(1S)-1-(2-methoxyphenyl)-3-oxo-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]-6-methylpyran-4-one
CID 99994226
3-hydroxy-6-(methoxymethyl)-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one
CID 75490617
3-[(1R)-1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-6-methoxychromen-4-one
CID 97488074
(3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 40595933
3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 135640522
2-[(1R)-1-(3,4-difluorophenyl)-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-(methoxymethyl)pyran-4-one
CID 97496983

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-morpholin-4-yl-3-oxopropyl]-1-methylquinolin-2-one?
The IUPAC name of 3-[(1S)-1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-morpholin-4-yl-3-oxopropyl]-1-methylquinolin-2-one (CID 97423712) is 3-[(1S)-1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-morpholin-4-yl-3-oxopropyl]-1-methylquinolin-2-one.
What is the SMILES notation for 3-[(1S)-1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-morpholin-4-yl-3-oxopropyl]-1-methylquinolin-2-one?
The canonical SMILES for 3-[(1S)-1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-morpholin-4-yl-3-oxopropyl]-1-methylquinolin-2-one is Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2cc3ccccc3n(C)c2=O)o1.
What is the InChIKey of 3-[(1S)-1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-morpholin-4-yl-3-oxopropyl]-1-methylquinolin-2-one?
The InChIKey is NCKDHKORTJSRRM-INIZCTEOSA-N. The full InChI is InChI=1S/C23H24N2O6/c1-14-11-19(26)21(28)22(31-14)16(13-20(27)25-7-9-30-10-8-25)17-12-15-5-3-4-6-18(15)24(2)23(17)29/h3-6,11-12,16,28H,7-10,13H2,1-2H3/t16-/m0/s1.
What are the key properties of 3-[(1S)-1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-morpholin-4-yl-3-oxopropyl]-1-methylquinolin-2-one?
3-[(1S)-1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-morpholin-4-yl-3-oxopropyl]-1-methylquinolin-2-one has a molecular weight of 424.45 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-morpholin-4-yl-3-oxopropyl]-1-methylquinolin-2-one is sourced from PubChem (CID 97423712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).