8-methyl-2-morpholin-4-yl-7-(1-phenyltetrazol-5-yl)oxychromen-4-one

C21H19N5O4 — CID 21460250

IUPAC8-methyl-2-morpholin-4-yl-7-(1-phenyltetrazol-5-yl)oxychromen-4-one
SMILESCc1c(Oc2nnnn2-c2ccccc2)ccc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C21H19N5O4/c1-14-18(29-21-22-23-24-26(21)15-5-3-2-4-6-15)8-7-16-17(27)13-19(30-20(14)16)25-9-11-28-12-10-25/h2-8,13H,9-12H2,1H3
InChIKeyQRBLVYLGPHVZPN-UHFFFAOYSA-N
MW405.41 g/mol
LogP2.71
Rot. Bonds4

About 8-methyl-2-morpholin-4-yl-7-(1-phenyltetrazol-5-yl)oxychromen-4-one

8-methyl-2-morpholin-4-yl-7-(1-phenyltetrazol-5-yl)oxychromen-4-one (PubChem CID 21460250) has the molecular formula C21H19N5O4 and a molecular weight of 405.41 g/mol. Its IUPAC name is 8-methyl-2-morpholin-4-yl-7-(1-phenyltetrazol-5-yl)oxychromen-4-one.

Molecular Properties

Compound Name8-methyl-2-morpholin-4-yl-7-(1-phenyltetrazol-5-yl)oxychromen-4-one
PubChem CID21460250
Molecular FormulaC21H19N5O4
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC Name8-methyl-2-morpholin-4-yl-7-(1-phenyltetrazol-5-yl)oxychromen-4-one
SMILESCc1c(Oc2nnnn2-c2ccccc2)ccc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C21H19N5O4/c1-14-18(29-21-22-23-24-26(21)15-5-3-2-4-6-15)8-7-16-17(27)13-19(30-20(14)16)25-9-11-28-12-10-25/h2-8,13H,9-12H2,1H3
InChIKeyQRBLVYLGPHVZPN-UHFFFAOYSA-N
XLogP2.71
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-morpholin-4-yl-7-(1-phenyltetrazol-5-yl)oxychromen-4-one?
The IUPAC name of 8-methyl-2-morpholin-4-yl-7-(1-phenyltetrazol-5-yl)oxychromen-4-one (CID 21460250) is 8-methyl-2-morpholin-4-yl-7-(1-phenyltetrazol-5-yl)oxychromen-4-one.
What is the SMILES notation for 8-methyl-2-morpholin-4-yl-7-(1-phenyltetrazol-5-yl)oxychromen-4-one?
The canonical SMILES for 8-methyl-2-morpholin-4-yl-7-(1-phenyltetrazol-5-yl)oxychromen-4-one is Cc1c(Oc2nnnn2-c2ccccc2)ccc2c(=O)cc(N3CCOCC3)oc12.
What is the InChIKey of 8-methyl-2-morpholin-4-yl-7-(1-phenyltetrazol-5-yl)oxychromen-4-one?
The InChIKey is QRBLVYLGPHVZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4/c1-14-18(29-21-22-23-24-26(21)15-5-3-2-4-6-15)8-7-16-17(27)13-19(30-20(14)16)25-9-11-28-12-10-25/h2-8,13H,9-12H2,1H3.
What are the key properties of 8-methyl-2-morpholin-4-yl-7-(1-phenyltetrazol-5-yl)oxychromen-4-one?
8-methyl-2-morpholin-4-yl-7-(1-phenyltetrazol-5-yl)oxychromen-4-one has a molecular weight of 405.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-morpholin-4-yl-7-(1-phenyltetrazol-5-yl)oxychromen-4-one is sourced from PubChem (CID 21460250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).