4-(2,4-dimethoxyphenyl)-2-morpholin-4-ylindeno[1,2-d]pyrimidin-5-one

C23H21N3O4 — CID 17067390

IUPAC4-(2,4-dimethoxyphenyl)-2-morpholin-4-ylindeno[1,2-d]pyrimidin-5-one
SMILESCOc1ccc(-c2nc(N3CCOCC3)nc3c2C(=O)c2ccccc2-3)c(OC)c1
InChIInChI=1S/C23H21N3O4/c1-28-14-7-8-17(18(13-14)29-2)21-19-20(15-5-3-4-6-16(15)22(19)27)24-23(25-21)26-9-11-30-12-10-26/h3-8,13H,9-12H2,1-2H3
InChIKeyDKFXFWOSCIRVDZ-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.21
Rot. Bonds4

About 4-(2,4-dimethoxyphenyl)-2-morpholin-4-ylindeno[1,2-d]pyrimidin-5-one

4-(2,4-dimethoxyphenyl)-2-morpholin-4-ylindeno[1,2-d]pyrimidin-5-one (PubChem CID 17067390) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-2-morpholin-4-ylindeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-2-morpholin-4-ylindeno[1,2-d]pyrimidin-5-one
PubChem CID17067390
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name4-(2,4-dimethoxyphenyl)-2-morpholin-4-ylindeno[1,2-d]pyrimidin-5-one
SMILESCOc1ccc(-c2nc(N3CCOCC3)nc3c2C(=O)c2ccccc2-3)c(OC)c1
InChIInChI=1S/C23H21N3O4/c1-28-14-7-8-17(18(13-14)29-2)21-19-20(15-5-3-4-6-16(15)22(19)27)24-23(25-21)26-9-11-30-12-10-26/h3-8,13H,9-12H2,1-2H3
InChIKeyDKFXFWOSCIRVDZ-UHFFFAOYSA-N
XLogP3.21
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-2-morpholin-4-ylindeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-2-morpholin-4-ylindeno[1,2-d]pyrimidin-5-one (CID 17067390) is 4-(2,4-dimethoxyphenyl)-2-morpholin-4-ylindeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-2-morpholin-4-ylindeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-2-morpholin-4-ylindeno[1,2-d]pyrimidin-5-one is COc1ccc(-c2nc(N3CCOCC3)nc3c2C(=O)c2ccccc2-3)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-2-morpholin-4-ylindeno[1,2-d]pyrimidin-5-one?
The InChIKey is DKFXFWOSCIRVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-28-14-7-8-17(18(13-14)29-2)21-19-20(15-5-3-4-6-16(15)22(19)27)24-23(25-21)26-9-11-30-12-10-26/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 4-(2,4-dimethoxyphenyl)-2-morpholin-4-ylindeno[1,2-d]pyrimidin-5-one?
4-(2,4-dimethoxyphenyl)-2-morpholin-4-ylindeno[1,2-d]pyrimidin-5-one has a molecular weight of 403.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-2-morpholin-4-ylindeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 17067390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).