6-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one

C21H18N2O3 — CID 11645935

IUPAC6-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2ccc(-c3ccc4[nH]ccc4c3)cc12
InChIInChI=1S/C21H18N2O3/c24-19-13-21(23-7-9-25-10-8-23)26-20-4-2-15(12-17(19)20)14-1-3-18-16(11-14)5-6-22-18/h1-6,11-13,22H,7-10H2
InChIKeyREMPCMJDUSKPFH-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.78
Rot. Bonds2

About 6-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one

6-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one (PubChem CID 11645935) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 6-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name6-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one
PubChem CID11645935
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name6-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2ccc(-c3ccc4[nH]ccc4c3)cc12
InChIInChI=1S/C21H18N2O3/c24-19-13-21(23-7-9-25-10-8-23)26-20-4-2-15(12-17(19)20)14-1-3-18-16(11-14)5-6-22-18/h1-6,11-13,22H,7-10H2
InChIKeyREMPCMJDUSKPFH-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 6-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 6-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one (CID 11645935) is 6-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 6-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 6-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one is O=c1cc(N2CCOCC2)oc2ccc(-c3ccc4[nH]ccc4c3)cc12.
What is the InChIKey of 6-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one?
The InChIKey is REMPCMJDUSKPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-19-13-21(23-7-9-25-10-8-23)26-20-4-2-15(12-17(19)20)14-1-3-18-16(11-14)5-6-22-18/h1-6,11-13,22H,7-10H2.
What are the key properties of 6-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one?
6-(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 6-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 11645935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).