8-methoxy-4-methyl-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinolin-2-one

C18H22N2O4 — CID 42345035

IUPAC8-methoxy-4-methyl-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinolin-2-one
SMILESCOc1cccc2c(C)cc(=O)n([C@@H](C)C(=O)N3CCOCC3)c12
InChIInChI=1S/C18H22N2O4/c1-12-11-16(21)20(17-14(12)5-4-6-15(17)23-3)13(2)18(22)19-7-9-24-10-8-19/h4-6,11,13H,7-10H2,1-3H3/t13-/m0/s1
InChIKeyGTLJYOWNUQRZNY-ZDUSSCGKSA-N
MW330.38 g/mol
LogP1.74
Rot. Bonds3

About 8-methoxy-4-methyl-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinolin-2-one

8-methoxy-4-methyl-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinolin-2-one (PubChem CID 42345035) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 8-methoxy-4-methyl-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinolin-2-one.

Molecular Properties

Compound Name8-methoxy-4-methyl-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinolin-2-one
PubChem CID42345035
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name8-methoxy-4-methyl-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinolin-2-one
SMILESCOc1cccc2c(C)cc(=O)n([C@@H](C)C(=O)N3CCOCC3)c12
InChIInChI=1S/C18H22N2O4/c1-12-11-16(21)20(17-14(12)5-4-6-15(17)23-3)13(2)18(22)19-7-9-24-10-8-19/h4-6,11,13H,7-10H2,1-3H3/t13-/m0/s1
InChIKeyGTLJYOWNUQRZNY-ZDUSSCGKSA-N
XLogP1.74
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-methyl-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinolin-2-one?
The IUPAC name of 8-methoxy-4-methyl-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinolin-2-one (CID 42345035) is 8-methoxy-4-methyl-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinolin-2-one.
What is the SMILES notation for 8-methoxy-4-methyl-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinolin-2-one?
The canonical SMILES for 8-methoxy-4-methyl-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinolin-2-one is COc1cccc2c(C)cc(=O)n([C@@H](C)C(=O)N3CCOCC3)c12.
What is the InChIKey of 8-methoxy-4-methyl-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinolin-2-one?
The InChIKey is GTLJYOWNUQRZNY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12-11-16(21)20(17-14(12)5-4-6-15(17)23-3)13(2)18(22)19-7-9-24-10-8-19/h4-6,11,13H,7-10H2,1-3H3/t13-/m0/s1.
What are the key properties of 8-methoxy-4-methyl-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinolin-2-one?
8-methoxy-4-methyl-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinolin-2-one has a molecular weight of 330.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-methyl-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinolin-2-one is sourced from PubChem (CID 42345035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).