(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate

C21H15NO6 — CID 8789210

IUPAC(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
SMILESCc1c(O)ccc2c(COC(=O)c3cc(=O)[nH]c4ccccc34)cc(=O)oc12
InChIInChI=1S/C21H15NO6/c1-11-17(23)7-6-13-12(8-19(25)28-20(11)13)10-27-21(26)15-9-18(24)22-16-5-3-2-4-14(15)16/h2-9,23H,10H2,1H3,(H,22,24)
InChIKeyPCGYRBKABPTJTI-UHFFFAOYSA-N
MW377.35 g/mol
LogP3.01
Rot. Bonds3

About (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate

(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 8789210) has the molecular formula C21H15NO6 and a molecular weight of 377.35 g/mol. Its IUPAC name is (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
PubChem CID8789210
Molecular FormulaC21H15NO6
Molecular Weight377.35 g/mol
Exact Mass377.09
IUPAC Name(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
SMILESCc1c(O)ccc2c(COC(=O)c3cc(=O)[nH]c4ccccc34)cc(=O)oc12
InChIInChI=1S/C21H15NO6/c1-11-17(23)7-6-13-12(8-19(25)28-20(11)13)10-27-21(26)15-9-18(24)22-16-5-3-2-4-14(15)16/h2-9,23H,10H2,1H3,(H,22,24)
InChIKeyPCGYRBKABPTJTI-UHFFFAOYSA-N
XLogP3.01
TPSA109.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(7,8-dimethyl-2-oxochromen-4-yl)methyl 4-oxo-1H-quinoline-2-carboxylate
CID 7504456
(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 3-methylbenzoate
CID 8708493
(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 3-bromobenzoate
CID 7959085
(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 7960824
(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl (2S)-2-phenylbutanoate
CID 8753834
(2-chlorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 895054
(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 8853364
(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724539
(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 8575225
(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926182
(4-bromo-2-fluorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 8853363
(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 3-fluoro-4-methoxybenzoate
CID 8702844

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate (CID 8789210) is (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate is Cc1c(O)ccc2c(COC(=O)c3cc(=O)[nH]c4ccccc34)cc(=O)oc12.
What is the InChIKey of (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is PCGYRBKABPTJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO6/c1-11-17(23)7-6-13-12(8-19(25)28-20(11)13)10-27-21(26)15-9-18(24)22-16-5-3-2-4-14(15)16/h2-9,23H,10H2,1H3,(H,22,24).
What are the key properties of (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 377.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 8789210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).