2-morpholin-4-yl-7-propoxychromen-4-one

C16H19NO4 — CID 11630658

IUPAC2-morpholin-4-yl-7-propoxychromen-4-one
SMILESCCCOc1ccc2c(=O)cc(N3CCOCC3)oc2c1
InChIInChI=1S/C16H19NO4/c1-2-7-20-12-3-4-13-14(18)11-16(21-15(13)10-12)17-5-8-19-9-6-17/h3-4,10-11H,2,5-9H2,1H3
InChIKeyRXAXOVGTCLFYCQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.42
Rot. Bonds4

About 2-morpholin-4-yl-7-propoxychromen-4-one

2-morpholin-4-yl-7-propoxychromen-4-one (PubChem CID 11630658) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-morpholin-4-yl-7-propoxychromen-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-7-propoxychromen-4-one
PubChem CID11630658
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-morpholin-4-yl-7-propoxychromen-4-one
SMILESCCCOc1ccc2c(=O)cc(N3CCOCC3)oc2c1
InChIInChI=1S/C16H19NO4/c1-2-7-20-12-3-4-13-14(18)11-16(21-15(13)10-12)17-5-8-19-9-6-17/h3-4,10-11H,2,5-9H2,1H3
InChIKeyRXAXOVGTCLFYCQ-UHFFFAOYSA-N
XLogP2.42
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-7-propoxychromen-4-one?
The IUPAC name of 2-morpholin-4-yl-7-propoxychromen-4-one (CID 11630658) is 2-morpholin-4-yl-7-propoxychromen-4-one.
What is the SMILES notation for 2-morpholin-4-yl-7-propoxychromen-4-one?
The canonical SMILES for 2-morpholin-4-yl-7-propoxychromen-4-one is CCCOc1ccc2c(=O)cc(N3CCOCC3)oc2c1.
What is the InChIKey of 2-morpholin-4-yl-7-propoxychromen-4-one?
The InChIKey is RXAXOVGTCLFYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-2-7-20-12-3-4-13-14(18)11-16(21-15(13)10-12)17-5-8-19-9-6-17/h3-4,10-11H,2,5-9H2,1H3.
What are the key properties of 2-morpholin-4-yl-7-propoxychromen-4-one?
2-morpholin-4-yl-7-propoxychromen-4-one has a molecular weight of 289.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-7-propoxychromen-4-one is sourced from PubChem (CID 11630658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).