(2-oxo-3-phenylchromen-7-yl) morpholine-4-carboxylate

C20H17NO5 — CID 7198394

IUPAC(2-oxo-3-phenylchromen-7-yl) morpholine-4-carboxylate
SMILESO=C(Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1)N1CCOCC1
InChIInChI=1S/C20H17NO5/c22-19-17(14-4-2-1-3-5-14)12-15-6-7-16(13-18(15)26-19)25-20(23)21-8-10-24-11-9-21/h1-7,12-13H,8-11H2
InChIKeyXIQZZTWSZRDHLL-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.29
Rot. Bonds2

About (2-oxo-3-phenylchromen-7-yl) morpholine-4-carboxylate

(2-oxo-3-phenylchromen-7-yl) morpholine-4-carboxylate (PubChem CID 7198394) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is (2-oxo-3-phenylchromen-7-yl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(2-oxo-3-phenylchromen-7-yl) morpholine-4-carboxylate
PubChem CID7198394
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name(2-oxo-3-phenylchromen-7-yl) morpholine-4-carboxylate
SMILESO=C(Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1)N1CCOCC1
InChIInChI=1S/C20H17NO5/c22-19-17(14-4-2-1-3-5-14)12-15-6-7-16(13-18(15)26-19)25-20(23)21-8-10-24-11-9-21/h1-7,12-13H,8-11H2
InChIKeyXIQZZTWSZRDHLL-UHFFFAOYSA-N
XLogP3.29
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 11522900
CID 11522900
CID 9804053
CID 9804053
CID 988851
CID 988851
CID 3936970
CID 3936970
CID 915272
CID 915272
CID 65686
CID 65686
CID 11508573
CID 11508573
CID 11566823
CID 11566823
CID 11624481
CID 11624481
CID 11630658
CID 11630658
CID 769357
CID 769357
CID 888670
CID 888670

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3-phenylchromen-7-yl) morpholine-4-carboxylate?
The IUPAC name of (2-oxo-3-phenylchromen-7-yl) morpholine-4-carboxylate (CID 7198394) is (2-oxo-3-phenylchromen-7-yl) morpholine-4-carboxylate.
What is the SMILES notation for (2-oxo-3-phenylchromen-7-yl) morpholine-4-carboxylate?
The canonical SMILES for (2-oxo-3-phenylchromen-7-yl) morpholine-4-carboxylate is O=C(Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1)N1CCOCC1.
What is the InChIKey of (2-oxo-3-phenylchromen-7-yl) morpholine-4-carboxylate?
The InChIKey is XIQZZTWSZRDHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c22-19-17(14-4-2-1-3-5-14)12-15-6-7-16(13-18(15)26-19)25-20(23)21-8-10-24-11-9-21/h1-7,12-13H,8-11H2.
What are the key properties of (2-oxo-3-phenylchromen-7-yl) morpholine-4-carboxylate?
(2-oxo-3-phenylchromen-7-yl) morpholine-4-carboxylate has a molecular weight of 351.36 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3-phenylchromen-7-yl) morpholine-4-carboxylate is sourced from PubChem (CID 7198394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).