2'-(diethylamino)-8'-(dimethylamino)-4'-methylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one

C25H26N4O3 — CID 56638972

IUPAC2'-(diethylamino)-8'-(dimethylamino)-4'-methylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one
SMILESCCN(CC)c1nc(C)c2c(n1)Oc1cc(N(C)C)ccc1C21OC(=O)c2ccccc21
InChIInChI=1S/C25H26N4O3/c1-6-29(7-2)24-26-15(3)21-22(27-24)31-20-14-16(28(4)5)12-13-19(20)25(21)18-11-9-8-10-17(18)23(30)32-25/h8-14H,6-7H2,1-5H3
InChIKeyCOLLDKFLSFWHCO-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.27
Rot. Bonds4

About 2'-(diethylamino)-8'-(dimethylamino)-4'-methylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one

2'-(diethylamino)-8'-(dimethylamino)-4'-methylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one (PubChem CID 56638972) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2'-(diethylamino)-8'-(dimethylamino)-4'-methylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one.

Molecular Properties

Compound Name2'-(diethylamino)-8'-(dimethylamino)-4'-methylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one
PubChem CID56638972
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name2'-(diethylamino)-8'-(dimethylamino)-4'-methylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one
SMILESCCN(CC)c1nc(C)c2c(n1)Oc1cc(N(C)C)ccc1C21OC(=O)c2ccccc21
InChIInChI=1S/C25H26N4O3/c1-6-29(7-2)24-26-15(3)21-22(27-24)31-20-14-16(28(4)5)12-13-19(20)25(21)18-11-9-8-10-17(18)23(30)32-25/h8-14H,6-7H2,1-5H3
InChIKeyCOLLDKFLSFWHCO-UHFFFAOYSA-N
XLogP4.27
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2'-(diethylamino)-8'-(dimethylamino)-4'-methylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2'-(diethylamino)-8'-(dimethylamino)-4'-methylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one?
The IUPAC name of 2'-(diethylamino)-8'-(dimethylamino)-4'-methylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one (CID 56638972) is 2'-(diethylamino)-8'-(dimethylamino)-4'-methylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one.
What is the SMILES notation for 2'-(diethylamino)-8'-(dimethylamino)-4'-methylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one?
The canonical SMILES for 2'-(diethylamino)-8'-(dimethylamino)-4'-methylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one is CCN(CC)c1nc(C)c2c(n1)Oc1cc(N(C)C)ccc1C21OC(=O)c2ccccc21.
What is the InChIKey of 2'-(diethylamino)-8'-(dimethylamino)-4'-methylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one?
The InChIKey is COLLDKFLSFWHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-6-29(7-2)24-26-15(3)21-22(27-24)31-20-14-16(28(4)5)12-13-19(20)25(21)18-11-9-8-10-17(18)23(30)32-25/h8-14H,6-7H2,1-5H3.
What are the key properties of 2'-(diethylamino)-8'-(dimethylamino)-4'-methylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one?
2'-(diethylamino)-8'-(dimethylamino)-4'-methylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one has a molecular weight of 430.51 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(diethylamino)-8'-(dimethylamino)-4'-methylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one is sourced from PubChem (CID 56638972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).