6,7-dimethoxy-4-[3-(4-methoxyphenyl)-5-propoxypiperidin-1-yl]quinazoline

C25H31N3O4 — CID 58592926

IUPAC6,7-dimethoxy-4-[3-(4-methoxyphenyl)-5-propoxypiperidin-1-yl]quinazoline
SMILESCCCOC1CC(c2ccc(OC)cc2)CN(c2ncnc3cc(OC)c(OC)cc23)C1
InChIInChI=1S/C25H31N3O4/c1-5-10-32-20-11-18(17-6-8-19(29-2)9-7-17)14-28(15-20)25-21-12-23(30-3)24(31-4)13-22(21)26-16-27-25/h6-9,12-13,16,18,20H,5,10-11,14-15H2,1-4H3
InChIKeyMYYXVAGDMCODDI-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.44
Rot. Bonds8

About 6,7-dimethoxy-4-[3-(4-methoxyphenyl)-5-propoxypiperidin-1-yl]quinazoline

6,7-dimethoxy-4-[3-(4-methoxyphenyl)-5-propoxypiperidin-1-yl]quinazoline (PubChem CID 58592926) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[3-(4-methoxyphenyl)-5-propoxypiperidin-1-yl]quinazoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-[3-(4-methoxyphenyl)-5-propoxypiperidin-1-yl]quinazoline
PubChem CID58592926
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name6,7-dimethoxy-4-[3-(4-methoxyphenyl)-5-propoxypiperidin-1-yl]quinazoline
SMILESCCCOC1CC(c2ccc(OC)cc2)CN(c2ncnc3cc(OC)c(OC)cc23)C1
InChIInChI=1S/C25H31N3O4/c1-5-10-32-20-11-18(17-6-8-19(29-2)9-7-17)14-28(15-20)25-21-12-23(30-3)24(31-4)13-22(21)26-16-27-25/h6-9,12-13,16,18,20H,5,10-11,14-15H2,1-4H3
InChIKeyMYYXVAGDMCODDI-UHFFFAOYSA-N
XLogP4.44
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[3-(4-methoxyphenyl)-5-propoxypiperidin-1-yl]quinazoline?
The IUPAC name of 6,7-dimethoxy-4-[3-(4-methoxyphenyl)-5-propoxypiperidin-1-yl]quinazoline (CID 58592926) is 6,7-dimethoxy-4-[3-(4-methoxyphenyl)-5-propoxypiperidin-1-yl]quinazoline.
What is the SMILES notation for 6,7-dimethoxy-4-[3-(4-methoxyphenyl)-5-propoxypiperidin-1-yl]quinazoline?
The canonical SMILES for 6,7-dimethoxy-4-[3-(4-methoxyphenyl)-5-propoxypiperidin-1-yl]quinazoline is CCCOC1CC(c2ccc(OC)cc2)CN(c2ncnc3cc(OC)c(OC)cc23)C1.
What is the InChIKey of 6,7-dimethoxy-4-[3-(4-methoxyphenyl)-5-propoxypiperidin-1-yl]quinazoline?
The InChIKey is MYYXVAGDMCODDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-5-10-32-20-11-18(17-6-8-19(29-2)9-7-17)14-28(15-20)25-21-12-23(30-3)24(31-4)13-22(21)26-16-27-25/h6-9,12-13,16,18,20H,5,10-11,14-15H2,1-4H3.
What are the key properties of 6,7-dimethoxy-4-[3-(4-methoxyphenyl)-5-propoxypiperidin-1-yl]quinazoline?
6,7-dimethoxy-4-[3-(4-methoxyphenyl)-5-propoxypiperidin-1-yl]quinazoline has a molecular weight of 437.54 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[3-(4-methoxyphenyl)-5-propoxypiperidin-1-yl]quinazoline is sourced from PubChem (CID 58592926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).