7-hydroxy-4-methyl-8-[morpholin-4-yl(phenyl)methyl]chromen-2-one

C21H21NO4 — CID 11450983

IUPAC7-hydroxy-4-methyl-8-[morpholin-4-yl(phenyl)methyl]chromen-2-one
SMILESCc1cc(=O)oc2c(C(c3ccccc3)N3CCOCC3)c(O)ccc12
InChIInChI=1S/C21H21NO4/c1-14-13-18(24)26-21-16(14)7-8-17(23)19(21)20(15-5-3-2-4-6-15)22-9-11-25-12-10-22/h2-8,13,20,23H,9-12H2,1H3
InChIKeyZONJVCALHYCLCI-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.23
Rot. Bonds3

About 7-hydroxy-4-methyl-8-[morpholin-4-yl(phenyl)methyl]chromen-2-one

7-hydroxy-4-methyl-8-[morpholin-4-yl(phenyl)methyl]chromen-2-one (PubChem CID 11450983) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 7-hydroxy-4-methyl-8-[morpholin-4-yl(phenyl)methyl]chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4-methyl-8-[morpholin-4-yl(phenyl)methyl]chromen-2-one
PubChem CID11450983
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name7-hydroxy-4-methyl-8-[morpholin-4-yl(phenyl)methyl]chromen-2-one
SMILESCc1cc(=O)oc2c(C(c3ccccc3)N3CCOCC3)c(O)ccc12
InChIInChI=1S/C21H21NO4/c1-14-13-18(24)26-21-16(14)7-8-17(23)19(21)20(15-5-3-2-4-6-15)22-9-11-25-12-10-22/h2-8,13,20,23H,9-12H2,1H3
InChIKeyZONJVCALHYCLCI-UHFFFAOYSA-N
XLogP3.23
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol
CID 747708
8-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-7-hydroxy-4-methylbenzo[h]chromen-2-one
CID 42650679
2-[(S)-morpholin-4-yl(phenyl)methyl]phenol
CID 36690968
1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol
CID 139082928
4-[(S)-(3-methylphenyl)-phenylmethyl]morpholine
CID 71608225
4-[(4-benzhydrylpiperazin-1-yl)methyl]-7,8-dimethylchromen-2-one
CID 2450878
4-methyl-9-(1-phenylethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 3841038
1-[(5-methylfuran-2-yl)-morpholin-4-ylmethyl]naphthalen-2-ol
CID 18775206
2-(7-hydroxy-4-methyl-2-oxochromen-8-yl)-2-oxoacetic acid
CID 175599461
7-hydroxy-4-methyl-8-[(3-phenylpyrrolidin-1-yl)methyl]chromen-2-one
CID 71754577
2-[1-(7-hydroxy-4-methyl-2-oxochromen-8-yl)ethylideneamino]benzoic acid;zinc
CID 135484814
8-(1,3-benzothiazol-2-yl)-7-hydroxy-4-methylchromen-2-one
CID 136912374

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-methyl-8-[morpholin-4-yl(phenyl)methyl]chromen-2-one?
The IUPAC name of 7-hydroxy-4-methyl-8-[morpholin-4-yl(phenyl)methyl]chromen-2-one (CID 11450983) is 7-hydroxy-4-methyl-8-[morpholin-4-yl(phenyl)methyl]chromen-2-one.
What is the SMILES notation for 7-hydroxy-4-methyl-8-[morpholin-4-yl(phenyl)methyl]chromen-2-one?
The canonical SMILES for 7-hydroxy-4-methyl-8-[morpholin-4-yl(phenyl)methyl]chromen-2-one is Cc1cc(=O)oc2c(C(c3ccccc3)N3CCOCC3)c(O)ccc12.
What is the InChIKey of 7-hydroxy-4-methyl-8-[morpholin-4-yl(phenyl)methyl]chromen-2-one?
The InChIKey is ZONJVCALHYCLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-14-13-18(24)26-21-16(14)7-8-17(23)19(21)20(15-5-3-2-4-6-15)22-9-11-25-12-10-22/h2-8,13,20,23H,9-12H2,1H3.
What are the key properties of 7-hydroxy-4-methyl-8-[morpholin-4-yl(phenyl)methyl]chromen-2-one?
7-hydroxy-4-methyl-8-[morpholin-4-yl(phenyl)methyl]chromen-2-one has a molecular weight of 351.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-methyl-8-[morpholin-4-yl(phenyl)methyl]chromen-2-one is sourced from PubChem (CID 11450983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).