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

C25H32N6O3 — CID 118243104

IUPAC4-[2-[3-(methoxymethoxy)phenyl]-7-[(4-methylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESCOCOc1cccc(-c2nc(N3CCOCC3)c3ncc(CN4CCN(C)CC4)cc3n2)c1
InChIInChI=1S/C25H32N6O3/c1-29-6-8-30(9-7-29)17-19-14-22-23(26-16-19)25(31-10-12-33-13-11-31)28-24(27-22)20-4-3-5-21(15-20)34-18-32-2/h3-5,14-16H,6-13,17-18H2,1-2H3
InChIKeyUBACXLIJCASJQU-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.26
Rot. Bonds7

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

4-[2-[3-(methoxymethoxy)phenyl]-7-[(4-methylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 118243104) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 4-[2-[3-(methoxymethoxy)phenyl]-7-[(4-methylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(methoxymethoxy)phenyl]-7-[(4-methylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID118243104
Molecular FormulaC25H32N6O3
Molecular Weight464.57 g/mol
Exact Mass464.25
IUPAC Name4-[2-[3-(methoxymethoxy)phenyl]-7-[(4-methylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESCOCOc1cccc(-c2nc(N3CCOCC3)c3ncc(CN4CCN(C)CC4)cc3n2)c1
InChIInChI=1S/C25H32N6O3/c1-29-6-8-30(9-7-29)17-19-14-22-23(26-16-19)25(31-10-12-33-13-11-31)28-24(27-22)20-4-3-5-21(15-20)34-18-32-2/h3-5,14-16H,6-13,17-18H2,1-2H3
InChIKeyUBACXLIJCASJQU-UHFFFAOYSA-N
XLogP2.26
TPSA76.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-[(4-methylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[3-(methoxymethoxy)phenyl]-7-[(4-methylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine (CID 118243104) is 4-[2-[3-(methoxymethoxy)phenyl]-7-[(4-methylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[3-(methoxymethoxy)phenyl]-7-[(4-methylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[3-(methoxymethoxy)phenyl]-7-[(4-methylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine is COCOc1cccc(-c2nc(N3CCOCC3)c3ncc(CN4CCN(C)CC4)cc3n2)c1.
What is the InChIKey of 4-[2-[3-(methoxymethoxy)phenyl]-7-[(4-methylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is UBACXLIJCASJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-29-6-8-30(9-7-29)17-19-14-22-23(26-16-19)25(31-10-12-33-13-11-31)28-24(27-22)20-4-3-5-21(15-20)34-18-32-2/h3-5,14-16H,6-13,17-18H2,1-2H3.
What are the key properties of 4-[2-[3-(methoxymethoxy)phenyl]-7-[(4-methylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-[3-(methoxymethoxy)phenyl]-7-[(4-methylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 464.57 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(methoxymethoxy)phenyl]-7-[(4-methylpiperazin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 118243104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).