7-methoxy-4-methyl-3-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]chromen-2-one

C19H23NO5 — CID 51296291

IUPAC7-methoxy-4-methyl-3-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]chromen-2-one
SMILESCOc1ccc2c(C)c(CCC(=O)N3CCOC(C)C3)c(=O)oc2c1
InChIInChI=1S/C19H23NO5/c1-12-11-20(8-9-24-12)18(21)7-6-16-13(2)15-5-4-14(23-3)10-17(15)25-19(16)22/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyMKJMAIHAOWPNCV-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.29
Rot. Bonds4

About 7-methoxy-4-methyl-3-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]chromen-2-one

7-methoxy-4-methyl-3-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]chromen-2-one (PubChem CID 51296291) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is 7-methoxy-4-methyl-3-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]chromen-2-one.

Molecular Properties

Compound Name7-methoxy-4-methyl-3-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]chromen-2-one
PubChem CID51296291
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name7-methoxy-4-methyl-3-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]chromen-2-one
SMILESCOc1ccc2c(C)c(CCC(=O)N3CCOC(C)C3)c(=O)oc2c1
InChIInChI=1S/C19H23NO5/c1-12-11-20(8-9-24-12)18(21)7-6-16-13(2)15-5-4-14(23-3)10-17(15)25-19(16)22/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyMKJMAIHAOWPNCV-UHFFFAOYSA-N
XLogP2.29
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-4-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)chromen-2-one
CID 4914201
3-[3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-oxopropyl]-7-methoxy-4-methylchromen-2-one
CID 119635712
3-[3-(4-cyclopentylpiperazin-1-yl)-3-oxopropyl]-7-methoxy-4-methylchromen-2-one
CID 134020798
3-[3-[3-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-7-methoxy-4-methylchromen-2-one;hydrochloride
CID 119593452
ethyl 1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]piperidine-4-carboxylate
CID 46689733
3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-7-methoxy-4-methylchromen-2-one
CID 4902462
3-[3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-oxopropyl]-7-methoxy-4-methylchromen-2-one
CID 46461280
7-methoxy-4-methyl-3-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]chromen-2-one
CID 38028067
(2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 40653207
(2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]pyrrolidine-2-carboxamide
CID 39889964
4-methyl-7-(2-methylprop-2-enoxy)-3-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]chromen-2-one
CID 52905097
(1S,9S)-11-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 163050969

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methyl-3-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]chromen-2-one?
The IUPAC name of 7-methoxy-4-methyl-3-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]chromen-2-one (CID 51296291) is 7-methoxy-4-methyl-3-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]chromen-2-one.
What is the SMILES notation for 7-methoxy-4-methyl-3-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]chromen-2-one?
The canonical SMILES for 7-methoxy-4-methyl-3-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]chromen-2-one is COc1ccc2c(C)c(CCC(=O)N3CCOC(C)C3)c(=O)oc2c1.
What is the InChIKey of 7-methoxy-4-methyl-3-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]chromen-2-one?
The InChIKey is MKJMAIHAOWPNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-12-11-20(8-9-24-12)18(21)7-6-16-13(2)15-5-4-14(23-3)10-17(15)25-19(16)22/h4-5,10,12H,6-9,11H2,1-3H3.
What are the key properties of 7-methoxy-4-methyl-3-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]chromen-2-one?
7-methoxy-4-methyl-3-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]chromen-2-one has a molecular weight of 345.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methyl-3-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]chromen-2-one is sourced from PubChem (CID 51296291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).