4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)quinazoline;6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazoline;6-(3,4-dimethoxyphenyl)-4-propoxyquinazoline

C59H64N6O9 — CID 87786493

IUPAC4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)quinazoline;6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazoline;6-(3,4-dimethoxyphenyl)-4-propoxyquinazoline
SMILESCCC(C)Oc1ncnc2ccc(-c3ccc(OC)c(OC)c3)cc12.CCCOc1ncnc2ccc(-c3ccc(OC)c(OC)c3)cc12.COc1ccc(-c2ccc3ncnc(OC(C)(C)C)c3c2)cc1OC
InChIInChI=1S/2C20H22N2O3.C19H20N2O3/c1-20(2,3)25-19-15-10-13(6-8-16(15)21-12-22-19)14-7-9-17(23-4)18(11-14)24-5;1-5-13(2)25-20-16-10-14(6-8-17(16)21-12-22-20)15-7-9-18(23-3)19(11-15)24-4;1-4-9-24-19-15-10-13(5-7-16(15)20-12-21-19)14-6-8-17(22-2)18(11-14)23-3/h6-12H,1-5H3;6-13H,5H2,1-4H3;5-8,10-12H,4,9H2,1-3H3
InChIKeyJZARGOLOBWGDKH-UHFFFAOYSA-N
MW1001.19 g/mol
LogP13.09
Rot. Bonds16

About 4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)quinazoline;6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazoline;6-(3,4-dimethoxyphenyl)-4-propoxyquinazoline

4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)quinazoline;6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazoline;6-(3,4-dimethoxyphenyl)-4-propoxyquinazoline (PubChem CID 87786493) has the molecular formula C59H64N6O9 and a molecular weight of 1001.19 g/mol. Its IUPAC name is 4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)quinazoline;6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazoline;6-(3,4-dimethoxyphenyl)-4-propoxyquinazoline.

Molecular Properties

Compound Name4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)quinazoline;6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazoline;6-(3,4-dimethoxyphenyl)-4-propoxyquinazoline
PubChem CID87786493
Molecular FormulaC59H64N6O9
Molecular Weight1001.19 g/mol
Exact Mass1000.47
IUPAC Name4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)quinazoline;6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazoline;6-(3,4-dimethoxyphenyl)-4-propoxyquinazoline
SMILESCCC(C)Oc1ncnc2ccc(-c3ccc(OC)c(OC)c3)cc12.CCCOc1ncnc2ccc(-c3ccc(OC)c(OC)c3)cc12.COc1ccc(-c2ccc3ncnc(OC(C)(C)C)c3c2)cc1OC
InChIInChI=1S/2C20H22N2O3.C19H20N2O3/c1-20(2,3)25-19-15-10-13(6-8-16(15)21-12-22-19)14-7-9-17(23-4)18(11-14)24-5;1-5-13(2)25-20-16-10-14(6-8-17(16)21-12-22-20)15-7-9-18(23-3)19(11-15)24-4;1-4-9-24-19-15-10-13(5-7-16(15)20-12-21-19)14-6-8-17(22-2)18(11-14)23-3/h6-12H,1-5H3;6-13H,5H2,1-4H3;5-8,10-12H,4,9H2,1-3H3
InChIKeyJZARGOLOBWGDKH-UHFFFAOYSA-N
XLogP13.09
TPSA160.41 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001001.19
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)quinazoline;6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazoline;6-(3,4-dimethoxyphenyl)-4-propoxyquinazoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)quinazoline;6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazoline;6-(3,4-dimethoxyphenyl)-4-propoxyquinazoline?
The IUPAC name of 4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)quinazoline;6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazoline;6-(3,4-dimethoxyphenyl)-4-propoxyquinazoline (CID 87786493) is 4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)quinazoline;6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazoline;6-(3,4-dimethoxyphenyl)-4-propoxyquinazoline.
What is the SMILES notation for 4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)quinazoline;6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazoline;6-(3,4-dimethoxyphenyl)-4-propoxyquinazoline?
The canonical SMILES for 4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)quinazoline;6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazoline;6-(3,4-dimethoxyphenyl)-4-propoxyquinazoline is CCC(C)Oc1ncnc2ccc(-c3ccc(OC)c(OC)c3)cc12.CCCOc1ncnc2ccc(-c3ccc(OC)c(OC)c3)cc12.COc1ccc(-c2ccc3ncnc(OC(C)(C)C)c3c2)cc1OC.
What is the InChIKey of 4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)quinazoline;6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazoline;6-(3,4-dimethoxyphenyl)-4-propoxyquinazoline?
The InChIKey is JZARGOLOBWGDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H22N2O3.C19H20N2O3/c1-20(2,3)25-19-15-10-13(6-8-16(15)21-12-22-19)14-7-9-17(23-4)18(11-14)24-5;1-5-13(2)25-20-16-10-14(6-8-17(16)21-12-22-20)15-7-9-18(23-3)19(11-15)24-4;1-4-9-24-19-15-10-13(5-7-16(15)20-12-21-19)14-6-8-17(22-2)18(11-14)23-3/h6-12H,1-5H3;6-13H,5H2,1-4H3;5-8,10-12H,4,9H2,1-3H3.
What are the key properties of 4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)quinazoline;6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazoline;6-(3,4-dimethoxyphenyl)-4-propoxyquinazoline?
4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)quinazoline;6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazoline;6-(3,4-dimethoxyphenyl)-4-propoxyquinazoline has a molecular weight of 1001.19 g/mol, XLogP of 13.09, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)quinazoline;6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazoline;6-(3,4-dimethoxyphenyl)-4-propoxyquinazoline is sourced from PubChem (CID 87786493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).