(7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate

C22H15NO5 — CID 16617786

IUPAC(7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
SMILESO=C(/C=C/c1cccc2cccnc12)OCc1cc(=O)oc2cc(O)ccc12
InChIInChI=1S/C22H15NO5/c24-17-7-8-18-16(11-21(26)28-19(18)12-17)13-27-20(25)9-6-15-4-1-3-14-5-2-10-23-22(14)15/h1-12,24H,13H2/b9-6+
InChIKeyFETVXHFFBDVHPN-RMKNXTFCSA-N
MW373.36 g/mol
LogP3.80
Rot. Bonds4

About (7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate

(7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate (PubChem CID 16617786) has the molecular formula C22H15NO5 and a molecular weight of 373.36 g/mol. Its IUPAC name is (7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate.

Molecular Properties

Compound Name(7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
PubChem CID16617786
Molecular FormulaC22H15NO5
Molecular Weight373.36 g/mol
Exact Mass373.10
IUPAC Name(7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
SMILESO=C(/C=C/c1cccc2cccnc12)OCc1cc(=O)oc2cc(O)ccc12
InChIInChI=1S/C22H15NO5/c24-17-7-8-18-16(11-21(26)28-19(18)12-17)13-27-20(25)9-6-15-4-1-3-14-5-2-10-23-22(14)15/h1-12,24H,13H2/b9-6+
InChIKeyFETVXHFFBDVHPN-RMKNXTFCSA-N
XLogP3.80
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16617816
(3-oxobenzo[f]chromen-1-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 55506352
(7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-(3-bromophenyl)prop-2-enoate
CID 8663087
(7-hydroxy-2-oxochromen-4-yl)methyl (E)-pent-2-enoate
CID 8673363
(7-bromo-2-oxochromen-4-yl)methyl 2-quinolin-8-ylacetate
CID 55503167
(7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-(4-methylsulfanylphenyl)prop-2-enoate
CID 7953183
(7-methyl-2-oxochromen-4-yl)methyl 3-(2-chlorophenyl)prop-2-enoate
CID 3890557
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16607939
cyanomethyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16607642
(5-phenyl-1,2-oxazol-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16608229
(2-chloro-7,8-dimethylquinolin-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16608148
7-methyl-4-(quinolin-8-yloxymethyl)chromen-2-one
CID 134693453

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate?
The IUPAC name of (7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate (CID 16617786) is (7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate.
What is the SMILES notation for (7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate?
The canonical SMILES for (7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate is O=C(/C=C/c1cccc2cccnc12)OCc1cc(=O)oc2cc(O)ccc12.
What is the InChIKey of (7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate?
The InChIKey is FETVXHFFBDVHPN-RMKNXTFCSA-N. The full InChI is InChI=1S/C22H15NO5/c24-17-7-8-18-16(11-21(26)28-19(18)12-17)13-27-20(25)9-6-15-4-1-3-14-5-2-10-23-22(14)15/h1-12,24H,13H2/b9-6+.
What are the key properties of (7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate?
(7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate has a molecular weight of 373.36 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate is sourced from PubChem (CID 16617786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).