8-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one

C21H18N2O3 — CID 11501108

IUPAC8-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3ccc4[nH]ccc4c3)cccc12
InChIInChI=1S/C21H18N2O3/c24-19-13-20(23-8-10-25-11-9-23)26-21-16(2-1-3-17(19)21)14-4-5-18-15(12-14)6-7-22-18/h1-7,12-13,22H,8-11H2
InChIKeyLXMAOXUZAUDVCG-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.78
Rot. Bonds2

About 8-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one

8-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one (PubChem CID 11501108) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 8-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name8-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one
PubChem CID11501108
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name8-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3ccc4[nH]ccc4c3)cccc12
InChIInChI=1S/C21H18N2O3/c24-19-13-20(23-8-10-25-11-9-23)26-21-16(2-1-3-17(19)21)14-4-5-18-15(12-14)6-7-22-18/h1-7,12-13,22H,8-11H2
InChIKeyLXMAOXUZAUDVCG-UHFFFAOYSA-N
XLogP3.78
TPSA58.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 8-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one (CID 11501108) is 8-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 8-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 8-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one is O=c1cc(N2CCOCC2)oc2c(-c3ccc4[nH]ccc4c3)cccc12.
What is the InChIKey of 8-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one?
The InChIKey is LXMAOXUZAUDVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-19-13-20(23-8-10-25-11-9-23)26-21-16(2-1-3-17(19)21)14-4-5-18-15(12-14)6-7-22-18/h1-7,12-13,22H,8-11H2.
What are the key properties of 8-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one?
8-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one has a molecular weight of 346.39 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 11501108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).