7-(2H-cyclopenta[c]pyridin-1-ylmethoxy)-2-morpholin-4-ylchromen-4-one

C22H20N2O4 — CID 21460267

IUPAC7-(2H-cyclopenta[c]pyridin-1-ylmethoxy)-2-morpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2cc(OCc3[nH]ccc4cccc3-4)ccc12
InChIInChI=1S/C22H20N2O4/c25-20-13-22(24-8-10-26-11-9-24)28-21-12-16(4-5-18(20)21)27-14-19-17-3-1-2-15(17)6-7-23-19/h1-7,12-13,23H,8-11,14H2
InChIKeyBQQVTJOFARKKHG-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.64
Rot. Bonds4

About 7-(2H-cyclopenta[c]pyridin-1-ylmethoxy)-2-morpholin-4-ylchromen-4-one

7-(2H-cyclopenta[c]pyridin-1-ylmethoxy)-2-morpholin-4-ylchromen-4-one (PubChem CID 21460267) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 7-(2H-cyclopenta[c]pyridin-1-ylmethoxy)-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name7-(2H-cyclopenta[c]pyridin-1-ylmethoxy)-2-morpholin-4-ylchromen-4-one
PubChem CID21460267
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name7-(2H-cyclopenta[c]pyridin-1-ylmethoxy)-2-morpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2cc(OCc3[nH]ccc4cccc3-4)ccc12
InChIInChI=1S/C22H20N2O4/c25-20-13-22(24-8-10-26-11-9-24)28-21-12-16(4-5-18(20)21)27-14-19-17-3-1-2-15(17)6-7-23-19/h1-7,12-13,23H,8-11,14H2
InChIKeyBQQVTJOFARKKHG-UHFFFAOYSA-N
XLogP3.64
TPSA67.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2H-cyclopenta[c]pyridin-1-ylmethoxy)-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 7-(2H-cyclopenta[c]pyridin-1-ylmethoxy)-2-morpholin-4-ylchromen-4-one (CID 21460267) is 7-(2H-cyclopenta[c]pyridin-1-ylmethoxy)-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 7-(2H-cyclopenta[c]pyridin-1-ylmethoxy)-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 7-(2H-cyclopenta[c]pyridin-1-ylmethoxy)-2-morpholin-4-ylchromen-4-one is O=c1cc(N2CCOCC2)oc2cc(OCc3[nH]ccc4cccc3-4)ccc12.
What is the InChIKey of 7-(2H-cyclopenta[c]pyridin-1-ylmethoxy)-2-morpholin-4-ylchromen-4-one?
The InChIKey is BQQVTJOFARKKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-20-13-22(24-8-10-26-11-9-24)28-21-12-16(4-5-18(20)21)27-14-19-17-3-1-2-15(17)6-7-23-19/h1-7,12-13,23H,8-11,14H2.
What are the key properties of 7-(2H-cyclopenta[c]pyridin-1-ylmethoxy)-2-morpholin-4-ylchromen-4-one?
7-(2H-cyclopenta[c]pyridin-1-ylmethoxy)-2-morpholin-4-ylchromen-4-one has a molecular weight of 376.41 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2H-cyclopenta[c]pyridin-1-ylmethoxy)-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 21460267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).