6-(3-morpholin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-one

C23H23N3O4 — CID 67195246

IUPAC6-(3-morpholin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-one
SMILESO=c1cc(-c2cc3cccn3cn2)oc2ccc(OCCCN3CCOCC3)cc12
InChIInChI=1S/C23H23N3O4/c27-21-15-23(20-13-17-3-1-7-26(17)16-24-20)30-22-5-4-18(14-19(21)22)29-10-2-6-25-8-11-28-12-9-25/h1,3-5,7,13-16H,2,6,8-12H2
InChIKeyCZGYOQUVDKPTLK-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.21
Rot. Bonds6

About 6-(3-morpholin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-one

6-(3-morpholin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-one (PubChem CID 67195246) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 6-(3-morpholin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-one.

Molecular Properties

Compound Name6-(3-morpholin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-one
PubChem CID67195246
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name6-(3-morpholin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-one
SMILESO=c1cc(-c2cc3cccn3cn2)oc2ccc(OCCCN3CCOCC3)cc12
InChIInChI=1S/C23H23N3O4/c27-21-15-23(20-13-17-3-1-7-26(17)16-24-20)30-22-5-4-18(14-19(21)22)29-10-2-6-25-8-11-28-12-9-25/h1,3-5,7,13-16H,2,6,8-12H2
InChIKeyCZGYOQUVDKPTLK-UHFFFAOYSA-N
XLogP3.21
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-morpholin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-one?
The IUPAC name of 6-(3-morpholin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-one (CID 67195246) is 6-(3-morpholin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-one.
What is the SMILES notation for 6-(3-morpholin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-one?
The canonical SMILES for 6-(3-morpholin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-one is O=c1cc(-c2cc3cccn3cn2)oc2ccc(OCCCN3CCOCC3)cc12.
What is the InChIKey of 6-(3-morpholin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-one?
The InChIKey is CZGYOQUVDKPTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c27-21-15-23(20-13-17-3-1-7-26(17)16-24-20)30-22-5-4-18(14-19(21)22)29-10-2-6-25-8-11-28-12-9-25/h1,3-5,7,13-16H,2,6,8-12H2.
What are the key properties of 6-(3-morpholin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-one?
6-(3-morpholin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-one has a molecular weight of 405.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-morpholin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-one is sourced from PubChem (CID 67195246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).