ethyl 2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carboxylate

C23H21NO4 — CID 2863172

IUPACethyl 2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2c(ccc3ccccc23)C1c1ccc(OC)cc1
InChIInChI=1S/C23H21NO4/c1-3-27-23(25)20-19(15-8-11-16(26-2)12-9-15)18-13-10-14-6-4-5-7-17(14)21(18)28-22(20)24/h4-13,19H,3,24H2,1-2H3
InChIKeyFBCRGYCTRUQXEE-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.11
Rot. Bonds4

About ethyl 2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carboxylate

ethyl 2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carboxylate (PubChem CID 2863172) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is ethyl 2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carboxylate
PubChem CID2863172
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Nameethyl 2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2c(ccc3ccccc23)C1c1ccc(OC)cc1
InChIInChI=1S/C23H21NO4/c1-3-27-23(25)20-19(15-8-11-16(26-2)12-9-15)18-13-10-14-6-4-5-7-17(14)21(18)28-22(20)24/h4-13,19H,3,24H2,1-2H3
InChIKeyFBCRGYCTRUQXEE-UHFFFAOYSA-N
XLogP4.11
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carboxylate (CID 2863172) is ethyl 2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carboxylate is CCOC(=O)C1=C(N)Oc2c(ccc3ccccc23)C1c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carboxylate?
The InChIKey is FBCRGYCTRUQXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-3-27-23(25)20-19(15-8-11-16(26-2)12-9-15)18-13-10-14-6-4-5-7-17(14)21(18)28-22(20)24/h4-13,19H,3,24H2,1-2H3.
What are the key properties of ethyl 2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carboxylate?
ethyl 2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carboxylate has a molecular weight of 375.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carboxylate is sourced from PubChem (CID 2863172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).