ethyl 2-amino-7-hydroxy-4-quinolin-3-yl-4H-chromene-3-carboxylate

C21H18N2O4 — CID 42610321

IUPACethyl 2-amino-7-hydroxy-4-quinolin-3-yl-4H-chromene-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1cnc2ccccc2c1
InChIInChI=1S/C21H18N2O4/c1-2-26-21(25)19-18(13-9-12-5-3-4-6-16(12)23-11-13)15-8-7-14(24)10-17(15)27-20(19)22/h3-11,18,24H,2,22H2,1H3
InChIKeyKKMGNWHBVHGYRJ-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.20
Rot. Bonds3

About ethyl 2-amino-7-hydroxy-4-quinolin-3-yl-4H-chromene-3-carboxylate

ethyl 2-amino-7-hydroxy-4-quinolin-3-yl-4H-chromene-3-carboxylate (PubChem CID 42610321) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is ethyl 2-amino-7-hydroxy-4-quinolin-3-yl-4H-chromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-7-hydroxy-4-quinolin-3-yl-4H-chromene-3-carboxylate
PubChem CID42610321
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Nameethyl 2-amino-7-hydroxy-4-quinolin-3-yl-4H-chromene-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1cnc2ccccc2c1
InChIInChI=1S/C21H18N2O4/c1-2-26-21(25)19-18(13-9-12-5-3-4-6-16(12)23-11-13)15-8-7-14(24)10-17(15)27-20(19)22/h3-11,18,24H,2,22H2,1H3
InChIKeyKKMGNWHBVHGYRJ-UHFFFAOYSA-N
XLogP3.20
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-7-hydroxy-4-quinolin-3-yl-4H-chromene-3-carboxylate?
The IUPAC name of ethyl 2-amino-7-hydroxy-4-quinolin-3-yl-4H-chromene-3-carboxylate (CID 42610321) is ethyl 2-amino-7-hydroxy-4-quinolin-3-yl-4H-chromene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-7-hydroxy-4-quinolin-3-yl-4H-chromene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-7-hydroxy-4-quinolin-3-yl-4H-chromene-3-carboxylate is CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1cnc2ccccc2c1.
What is the InChIKey of ethyl 2-amino-7-hydroxy-4-quinolin-3-yl-4H-chromene-3-carboxylate?
The InChIKey is KKMGNWHBVHGYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-2-26-21(25)19-18(13-9-12-5-3-4-6-16(12)23-11-13)15-8-7-14(24)10-17(15)27-20(19)22/h3-11,18,24H,2,22H2,1H3.
What are the key properties of ethyl 2-amino-7-hydroxy-4-quinolin-3-yl-4H-chromene-3-carboxylate?
ethyl 2-amino-7-hydroxy-4-quinolin-3-yl-4H-chromene-3-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 3.20, 3 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-quinolin-3-yl-4H-chromene-3-carboxylate is sourced from PubChem (CID 42610321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).