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

C18H17ClN4O2 — CID 73055424

IUPAC4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESCOc1ccc(-c2nc(N3CCOCC3)c3ncc(Cl)cc3n2)cc1
InChIInChI=1S/C18H17ClN4O2/c1-24-14-4-2-12(3-5-14)17-21-15-10-13(19)11-20-16(15)18(22-17)23-6-8-25-9-7-23/h2-5,10-11H,6-9H2,1H3
InChIKeyOHTXPSNENAWXTG-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.19
Rot. Bonds3

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

4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 73055424) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID73055424
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESCOc1ccc(-c2nc(N3CCOCC3)c3ncc(Cl)cc3n2)cc1
InChIInChI=1S/C18H17ClN4O2/c1-24-14-4-2-12(3-5-14)17-21-15-10-13(19)11-20-16(15)18(22-17)23-6-8-25-9-7-23/h2-5,10-11H,6-9H2,1H3
InChIKeyOHTXPSNENAWXTG-UHFFFAOYSA-N
XLogP3.19
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine (CID 73055424) is 4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine is COc1ccc(-c2nc(N3CCOCC3)c3ncc(Cl)cc3n2)cc1.
What is the InChIKey of 4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is OHTXPSNENAWXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-24-14-4-2-12(3-5-14)17-21-15-10-13(19)11-20-16(15)18(22-17)23-6-8-25-9-7-23/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 356.81 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 73055424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).