(7-hydroxy-2-oxochromen-4-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate

C24H15NO6 — CID 8761884

IUPAC(7-hydroxy-2-oxochromen-4-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
SMILESO=C(OCc1cc(=O)oc2cc(O)ccc12)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C24H15NO6/c26-15-7-8-16-14(10-23(27)31-22(16)11-15)13-30-24(28)18-12-20(21-6-3-9-29-21)25-19-5-2-1-4-17(18)19/h1-12,26H,13H2
InChIKeyHSQCAOOCBKHOTC-UHFFFAOYSA-N
MW413.39 g/mol
LogP4.66
Rot. Bonds4

About (7-hydroxy-2-oxochromen-4-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate

(7-hydroxy-2-oxochromen-4-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 8761884) has the molecular formula C24H15NO6 and a molecular weight of 413.39 g/mol. Its IUPAC name is (7-hydroxy-2-oxochromen-4-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(7-hydroxy-2-oxochromen-4-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID8761884
Molecular FormulaC24H15NO6
Molecular Weight413.39 g/mol
Exact Mass413.09
IUPAC Name(7-hydroxy-2-oxochromen-4-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
SMILESO=C(OCc1cc(=O)oc2cc(O)ccc12)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C24H15NO6/c26-15-7-8-16-14(10-23(27)31-22(16)11-15)13-30-24(28)18-12-20(21-6-3-9-29-21)25-19-5-2-1-4-17(18)19/h1-12,26H,13H2
InChIKeyHSQCAOOCBKHOTC-UHFFFAOYSA-N
XLogP4.66
TPSA102.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(7-methyl-2-oxochromen-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3477697
(7-methyl-2-oxochromen-4-yl)methyl 2-naphthalen-1-ylquinoline-4-carboxylate
CID 4315266
(7-methoxy-2-oxochromen-4-yl)methyl 2-naphthalen-1-ylquinoline-4-carboxylate
CID 3966497
(1,3-dioxoisoindol-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825277
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 8761958
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 2659548
(5-methoxycarbonylfuran-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 2631168
(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-methylquinoline-4-carboxylate
CID 7648539
(2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2353514
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2089799
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 9330812
(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 4002009

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-2-oxochromen-4-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of (7-hydroxy-2-oxochromen-4-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate (CID 8761884) is (7-hydroxy-2-oxochromen-4-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for (7-hydroxy-2-oxochromen-4-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for (7-hydroxy-2-oxochromen-4-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate is O=C(OCc1cc(=O)oc2cc(O)ccc12)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of (7-hydroxy-2-oxochromen-4-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is HSQCAOOCBKHOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NO6/c26-15-7-8-16-14(10-23(27)31-22(16)11-15)13-30-24(28)18-12-20(21-6-3-9-29-21)25-19-5-2-1-4-17(18)19/h1-12,26H,13H2.
What are the key properties of (7-hydroxy-2-oxochromen-4-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate?
(7-hydroxy-2-oxochromen-4-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 413.39 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-2-oxochromen-4-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 8761884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).