4-methyl-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxychromen-2-one

C17H19NO5 — CID 734865

IUPAC4-methyl-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxychromen-2-one
SMILESCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C17H19NO5/c1-11-9-16(19)23-15-10-13(3-4-14(11)15)22-12(2)17(20)18-5-7-21-8-6-18/h3-4,9-10,12H,5-8H2,1-2H3/t12-/m0/s1
InChIKeyCNFRMQBSLJAQPL-LBPRGKRZSA-N
MW317.34 g/mol
LogP1.73
Rot. Bonds3

About 4-methyl-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxychromen-2-one

4-methyl-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxychromen-2-one (PubChem CID 734865) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is 4-methyl-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxychromen-2-one.

Molecular Properties

Compound Name4-methyl-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxychromen-2-one
PubChem CID734865
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name4-methyl-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxychromen-2-one
SMILESCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C17H19NO5/c1-11-9-16(19)23-15-10-13(3-4-14(11)15)22-12(2)17(20)18-5-7-21-8-6-18/h3-4,9-10,12H,5-8H2,1-2H3/t12-/m0/s1
InChIKeyCNFRMQBSLJAQPL-LBPRGKRZSA-N
XLogP1.73
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.73
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-[(2R)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 7610793
2-(4-methyl-2-oxochromen-7-yl)oxypropanoic acid
CID 2787139
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 6723209
4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one
CID 64866959
7-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 1178038
2-methylpropyl 2-(4-methyl-2-oxochromen-7-yl)oxypropanoate
CID 23883278
N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191724
(2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 734864
(2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 2108923
7-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 7967902
2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 78767959
(2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 928071

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxychromen-2-one?
The IUPAC name of 4-methyl-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxychromen-2-one (CID 734865) is 4-methyl-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxychromen-2-one.
What is the SMILES notation for 4-methyl-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxychromen-2-one?
The canonical SMILES for 4-methyl-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxychromen-2-one is Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N3CCOCC3)ccc12.
What is the InChIKey of 4-methyl-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxychromen-2-one?
The InChIKey is CNFRMQBSLJAQPL-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19NO5/c1-11-9-16(19)23-15-10-13(3-4-14(11)15)22-12(2)17(20)18-5-7-21-8-6-18/h3-4,9-10,12H,5-8H2,1-2H3/t12-/m0/s1.
What are the key properties of 4-methyl-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxychromen-2-one?
4-methyl-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxychromen-2-one has a molecular weight of 317.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxychromen-2-one is sourced from PubChem (CID 734865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).