6-[2-(4-fluorophenyl)-6-phenylmorpholine-4-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione

C24H19FN4O4 — CID 167946569

IUPAC6-[2-(4-fluorophenyl)-6-phenylmorpholine-4-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=C(c1cnc2[nH]c(=O)[nH]c(=O)c2c1)N1CC(c2ccccc2)OC(c2ccc(F)cc2)C1
InChIInChI=1S/C24H19FN4O4/c25-17-8-6-15(7-9-17)20-13-29(12-19(33-20)14-4-2-1-3-5-14)23(31)16-10-18-21(26-11-16)27-24(32)28-22(18)30/h1-11,19-20H,12-13H2,(H2,26,27,28,30,32)
InChIKeyJCDQJUKTOJAOGR-UHFFFAOYSA-N
MW446.44 g/mol
LogP2.71
Rot. Bonds3

About 6-[2-(4-fluorophenyl)-6-phenylmorpholine-4-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione

6-[2-(4-fluorophenyl)-6-phenylmorpholine-4-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 167946569) has the molecular formula C24H19FN4O4 and a molecular weight of 446.44 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)-6-phenylmorpholine-4-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)-6-phenylmorpholine-4-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID167946569
Molecular FormulaC24H19FN4O4
Molecular Weight446.44 g/mol
Exact Mass446.14
IUPAC Name6-[2-(4-fluorophenyl)-6-phenylmorpholine-4-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=C(c1cnc2[nH]c(=O)[nH]c(=O)c2c1)N1CC(c2ccccc2)OC(c2ccc(F)cc2)C1
InChIInChI=1S/C24H19FN4O4/c25-17-8-6-15(7-9-17)20-13-29(12-19(33-20)14-4-2-1-3-5-14)23(31)16-10-18-21(26-11-16)27-24(32)28-22(18)30/h1-11,19-20H,12-13H2,(H2,26,27,28,30,32)
InChIKeyJCDQJUKTOJAOGR-UHFFFAOYSA-N
XLogP2.71
TPSA108.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)-6-phenylmorpholine-4-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(4-fluorophenyl)-6-phenylmorpholine-4-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 167946569) is 6-[2-(4-fluorophenyl)-6-phenylmorpholine-4-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(4-fluorophenyl)-6-phenylmorpholine-4-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(4-fluorophenyl)-6-phenylmorpholine-4-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione is O=C(c1cnc2[nH]c(=O)[nH]c(=O)c2c1)N1CC(c2ccccc2)OC(c2ccc(F)cc2)C1.
What is the InChIKey of 6-[2-(4-fluorophenyl)-6-phenylmorpholine-4-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is JCDQJUKTOJAOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O4/c25-17-8-6-15(7-9-17)20-13-29(12-19(33-20)14-4-2-1-3-5-14)23(31)16-10-18-21(26-11-16)27-24(32)28-22(18)30/h1-11,19-20H,12-13H2,(H2,26,27,28,30,32).
What are the key properties of 6-[2-(4-fluorophenyl)-6-phenylmorpholine-4-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
6-[2-(4-fluorophenyl)-6-phenylmorpholine-4-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 446.44 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)-6-phenylmorpholine-4-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 167946569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).