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

C19H19ClN4O3 — CID 118237160

IUPAC4-[7-chloro-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESCOCOc1cccc(-c2nc(N3CCOCC3)c3ncc(Cl)cc3n2)c1
InChIInChI=1S/C19H19ClN4O3/c1-25-12-27-15-4-2-3-13(9-15)18-22-16-10-14(20)11-21-17(16)19(23-18)24-5-7-26-8-6-24/h2-4,9-11H,5-8,12H2,1H3
InChIKeyUOSFNJMUQQHNIU-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.16
Rot. Bonds5

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

4-[7-chloro-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 118237160) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 4-[7-chloro-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[7-chloro-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID118237160
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC Name4-[7-chloro-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESCOCOc1cccc(-c2nc(N3CCOCC3)c3ncc(Cl)cc3n2)c1
InChIInChI=1S/C19H19ClN4O3/c1-25-12-27-15-4-2-3-13(9-15)18-22-16-10-14(20)11-21-17(16)19(23-18)24-5-7-26-8-6-24/h2-4,9-11H,5-8,12H2,1H3
InChIKeyUOSFNJMUQQHNIU-UHFFFAOYSA-N
XLogP3.16
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[7-chloro-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[7-chloro-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine (CID 118237160) is 4-[7-chloro-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[7-chloro-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[7-chloro-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine is COCOc1cccc(-c2nc(N3CCOCC3)c3ncc(Cl)cc3n2)c1.
What is the InChIKey of 4-[7-chloro-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is UOSFNJMUQQHNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c1-25-12-27-15-4-2-3-13(9-15)18-22-16-10-14(20)11-21-17(16)19(23-18)24-5-7-26-8-6-24/h2-4,9-11H,5-8,12H2,1H3.
What are the key properties of 4-[7-chloro-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
4-[7-chloro-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 386.84 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-chloro-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 118237160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).