ethyl 2-amino-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carboxylate

C19H19NO5 — CID 3326186

IUPACethyl 2-amino-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OC)cc1
InChIInChI=1S/C19H19NO5/c1-3-24-19(22)17-16(11-4-7-13(23-2)8-5-11)14-9-6-12(21)10-15(14)25-18(17)20/h4-10,16,21H,3,20H2,1-2H3
InChIKeyXCPXPQYQDAWBNI-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.66
Rot. Bonds4

About ethyl 2-amino-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carboxylate

ethyl 2-amino-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carboxylate (PubChem CID 3326186) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is ethyl 2-amino-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carboxylate
PubChem CID3326186
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Nameethyl 2-amino-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OC)cc1
InChIInChI=1S/C19H19NO5/c1-3-24-19(22)17-16(11-4-7-13(23-2)8-5-11)14-9-6-12(21)10-15(14)25-18(17)20/h4-10,16,21H,3,20H2,1-2H3
InChIKeyXCPXPQYQDAWBNI-UHFFFAOYSA-N
XLogP2.66
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (4R)-2-amino-6-ethyl-4-(4-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 7287332
ethyl (4R)-2-amino-4-phenyl-4H-chromene-3-carboxylate
CID 40554150
ethyl (1S)-3-amino-1-(4-fluorophenyl)-9-hydroxy-1H-benzo[f]chromene-2-carboxylate
CID 1025841
ethyl (4S)-2-amino-4-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
CID 6943950
ethyl 7-hydroxy-2-methyl-4-quinolin-3-yl-4H-chromene-3-carboxylate
CID 143807462
ethyl 7-hydroxy-4-phenyl-2-[(triphenyl-λ5-phosphanylidene)amino]-4H-chromene-3-carboxylate
CID 172907473
diethyl (4R)-2-amino-4-(4-ethoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate
CID 8613900
[2-amino-3-cyano-4-(4-ethoxyphenyl)-4H-chromen-7-yl] 4-methoxybenzoate
CID 19125662
3-[4-(1-ethoxyethoxy)phenyl]-6-hydroxy-3H-1-benzofuran-2-one
CID 165042832
ethyl 2-amino-4-(2,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 23475077
2-amino-4-(4-butoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 3112858
ethyl 2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 3800977

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carboxylate?
The IUPAC name of ethyl 2-amino-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carboxylate (CID 3326186) is ethyl 2-amino-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carboxylate is CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-amino-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carboxylate?
The InChIKey is XCPXPQYQDAWBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-3-24-19(22)17-16(11-4-7-13(23-2)8-5-11)14-9-6-12(21)10-15(14)25-18(17)20/h4-10,16,21H,3,20H2,1-2H3.
What are the key properties of ethyl 2-amino-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carboxylate?
ethyl 2-amino-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carboxylate has a molecular weight of 341.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carboxylate is sourced from PubChem (CID 3326186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).