4-[7-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine

C24H28N4O5 — CID 90038187

IUPAC4-[7-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESCOCOc1cccc(-c2nc(N3CCOCC3)c3ncc(C4COC(C)(C)O4)cc3n2)c1
InChIInChI=1S/C24H28N4O5/c1-24(2)32-14-20(33-24)17-12-19-21(25-13-17)23(28-7-9-30-10-8-28)27-22(26-19)16-5-4-6-18(11-16)31-15-29-3/h4-6,11-13,20H,7-10,14-15H2,1-3H3
InChIKeyZMWBCMRMUYBMPA-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.34
Rot. Bonds6

About 4-[7-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine

4-[7-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 90038187) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 4-[7-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[7-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID90038187
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name4-[7-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESCOCOc1cccc(-c2nc(N3CCOCC3)c3ncc(C4COC(C)(C)O4)cc3n2)c1
InChIInChI=1S/C24H28N4O5/c1-24(2)32-14-20(33-24)17-12-19-21(25-13-17)23(28-7-9-30-10-8-28)27-22(26-19)16-5-4-6-18(11-16)31-15-29-3/h4-6,11-13,20H,7-10,14-15H2,1-3H3
InChIKeyZMWBCMRMUYBMPA-UHFFFAOYSA-N
XLogP3.34
TPSA88.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-[7-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine 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 4-[7-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[7-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine (CID 90038187) is 4-[7-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[7-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[7-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine is COCOc1cccc(-c2nc(N3CCOCC3)c3ncc(C4COC(C)(C)O4)cc3n2)c1.
What is the InChIKey of 4-[7-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is ZMWBCMRMUYBMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-24(2)32-14-20(33-24)17-12-19-21(25-13-17)23(28-7-9-30-10-8-28)27-22(26-19)16-5-4-6-18(11-16)31-15-29-3/h4-6,11-13,20H,7-10,14-15H2,1-3H3.
What are the key properties of 4-[7-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
4-[7-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 452.51 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 90038187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).