(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-methylquinoline-4-carboxylate

C23H19NO5 — CID 7648539

IUPAC(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-methylquinoline-4-carboxylate
SMILESCCc1cc2c(COC(=O)c3cc(C)nc4ccccc34)cc(=O)oc2cc1O
InChIInChI=1S/C23H19NO5/c1-3-14-9-17-15(10-22(26)29-21(17)11-20(14)25)12-28-23(27)18-8-13(2)24-19-7-5-4-6-16(18)19/h4-11,25H,3,12H2,1-2H3
InChIKeyHYVYJQZJZCGZEQ-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.27
Rot. Bonds4

About (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-methylquinoline-4-carboxylate

(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-methylquinoline-4-carboxylate (PubChem CID 7648539) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-methylquinoline-4-carboxylate
PubChem CID7648539
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-methylquinoline-4-carboxylate
SMILESCCc1cc2c(COC(=O)c3cc(C)nc4ccccc34)cc(=O)oc2cc1O
InChIInChI=1S/C23H19NO5/c1-3-14-9-17-15(10-22(26)29-21(17)11-20(14)25)12-28-23(27)18-8-13(2)24-19-7-5-4-6-16(18)19/h4-11,25H,3,12H2,1-2H3
InChIKeyHYVYJQZJZCGZEQ-UHFFFAOYSA-N
XLogP4.27
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
CID 8765481
benzyl 2-methylquinoline-4-carboxylate
CID 804130
(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl (2R)-2-phenylsulfanylpropanoate
CID 7806600
(7-methyl-2-oxochromen-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3477697
(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl (2S)-2-phenoxypropanoate
CID 8791315
(7-methyl-2-oxochromen-4-yl)methyl 2-naphthalen-1-ylquinoline-4-carboxylate
CID 4315266
(7-hydroxy-2-oxochromen-4-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 8761884
(2,6-dichlorophenyl)methyl 2-methylquinoline-4-carboxylate
CID 2432200
(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 3,5-dimethoxybenzoate
CID 8528731
(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 4002009
(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-(4-methoxyphenyl)acetate
CID 8011779
(7-methoxy-2-oxochromen-4-yl)methyl 2-naphthalen-1-ylquinoline-4-carboxylate
CID 3966497

Frequently Asked Questions

What is the IUPAC name of (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-methylquinoline-4-carboxylate?
The IUPAC name of (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-methylquinoline-4-carboxylate (CID 7648539) is (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-methylquinoline-4-carboxylate.
What is the SMILES notation for (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-methylquinoline-4-carboxylate?
The canonical SMILES for (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-methylquinoline-4-carboxylate is CCc1cc2c(COC(=O)c3cc(C)nc4ccccc34)cc(=O)oc2cc1O.
What is the InChIKey of (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-methylquinoline-4-carboxylate?
The InChIKey is HYVYJQZJZCGZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5/c1-3-14-9-17-15(10-22(26)29-21(17)11-20(14)25)12-28-23(27)18-8-13(2)24-19-7-5-4-6-16(18)19/h4-11,25H,3,12H2,1-2H3.
What are the key properties of (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-methylquinoline-4-carboxylate?
(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-methylquinoline-4-carboxylate has a molecular weight of 389.41 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 7648539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).