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

C21H24N4O4 — CID 118243111

IUPAC4-[2-[3-(methoxymethoxy)phenyl]-7-(methoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESCOCOc1cccc(-c2nc(N3CCOCC3)c3ncc(COC)cc3n2)c1
InChIInChI=1S/C21H24N4O4/c1-26-13-15-10-18-19(22-12-15)21(25-6-8-28-9-7-25)24-20(23-18)16-4-3-5-17(11-16)29-14-27-2/h3-5,10-12H,6-9,13-14H2,1-2H3
InChIKeyUKTFTYMNNIWPHG-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.66
Rot. Bonds7

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

4-[2-[3-(methoxymethoxy)phenyl]-7-(methoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 118243111) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-[2-[3-(methoxymethoxy)phenyl]-7-(methoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(methoxymethoxy)phenyl]-7-(methoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID118243111
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name4-[2-[3-(methoxymethoxy)phenyl]-7-(methoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESCOCOc1cccc(-c2nc(N3CCOCC3)c3ncc(COC)cc3n2)c1
InChIInChI=1S/C21H24N4O4/c1-26-13-15-10-18-19(22-12-15)21(25-6-8-28-9-7-25)24-20(23-18)16-4-3-5-17(11-16)29-14-27-2/h3-5,10-12H,6-9,13-14H2,1-2H3
InChIKeyUKTFTYMNNIWPHG-UHFFFAOYSA-N
XLogP2.66
TPSA78.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(methoxymethoxy)phenyl]-7-(methoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[3-(methoxymethoxy)phenyl]-7-(methoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine (CID 118243111) is 4-[2-[3-(methoxymethoxy)phenyl]-7-(methoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[3-(methoxymethoxy)phenyl]-7-(methoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[3-(methoxymethoxy)phenyl]-7-(methoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine is COCOc1cccc(-c2nc(N3CCOCC3)c3ncc(COC)cc3n2)c1.
What is the InChIKey of 4-[2-[3-(methoxymethoxy)phenyl]-7-(methoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is UKTFTYMNNIWPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-26-13-15-10-18-19(22-12-15)21(25-6-8-28-9-7-25)24-20(23-18)16-4-3-5-17(11-16)29-14-27-2/h3-5,10-12H,6-9,13-14H2,1-2H3.
What are the key properties of 4-[2-[3-(methoxymethoxy)phenyl]-7-(methoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-[3-(methoxymethoxy)phenyl]-7-(methoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 396.45 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(methoxymethoxy)phenyl]-7-(methoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 118243111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).