ethyl 2-amino-4-[4-(dimethylamino)phenyl]-7-hydroxy-4H-chromene-3-carboxylate

C20H22N2O4 — CID 3464680

IUPACethyl 2-amino-4-[4-(dimethylamino)phenyl]-7-hydroxy-4H-chromene-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(N(C)C)cc1
InChIInChI=1S/C20H22N2O4/c1-4-25-20(24)18-17(12-5-7-13(8-6-12)22(2)3)15-10-9-14(23)11-16(15)26-19(18)21/h5-11,17,23H,4,21H2,1-3H3
InChIKeyNVLIDOZNCHCZNO-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.72
Rot. Bonds4

About ethyl 2-amino-4-[4-(dimethylamino)phenyl]-7-hydroxy-4H-chromene-3-carboxylate

ethyl 2-amino-4-[4-(dimethylamino)phenyl]-7-hydroxy-4H-chromene-3-carboxylate (PubChem CID 3464680) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is ethyl 2-amino-4-[4-(dimethylamino)phenyl]-7-hydroxy-4H-chromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-[4-(dimethylamino)phenyl]-7-hydroxy-4H-chromene-3-carboxylate
PubChem CID3464680
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Nameethyl 2-amino-4-[4-(dimethylamino)phenyl]-7-hydroxy-4H-chromene-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(N(C)C)cc1
InChIInChI=1S/C20H22N2O4/c1-4-25-20(24)18-17(12-5-7-13(8-6-12)22(2)3)15-10-9-14(23)11-16(15)26-19(18)21/h5-11,17,23H,4,21H2,1-3H3
InChIKeyNVLIDOZNCHCZNO-UHFFFAOYSA-N
XLogP2.72
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-[4-(dimethylamino)phenyl]-7-hydroxy-4H-chromene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-[4-(dimethylamino)phenyl]-7-hydroxy-4H-chromene-3-carboxylate (CID 3464680) is ethyl 2-amino-4-[4-(dimethylamino)phenyl]-7-hydroxy-4H-chromene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-[4-(dimethylamino)phenyl]-7-hydroxy-4H-chromene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-[4-(dimethylamino)phenyl]-7-hydroxy-4H-chromene-3-carboxylate is CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(N(C)C)cc1.
What is the InChIKey of ethyl 2-amino-4-[4-(dimethylamino)phenyl]-7-hydroxy-4H-chromene-3-carboxylate?
The InChIKey is NVLIDOZNCHCZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-4-25-20(24)18-17(12-5-7-13(8-6-12)22(2)3)15-10-9-14(23)11-16(15)26-19(18)21/h5-11,17,23H,4,21H2,1-3H3.
What are the key properties of ethyl 2-amino-4-[4-(dimethylamino)phenyl]-7-hydroxy-4H-chromene-3-carboxylate?
ethyl 2-amino-4-[4-(dimethylamino)phenyl]-7-hydroxy-4H-chromene-3-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-[4-(dimethylamino)phenyl]-7-hydroxy-4H-chromene-3-carboxylate is sourced from PubChem (CID 3464680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).