2-propan-2-yl-4-[4-[(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline

C28H34N4O2 — CID 153409021

IUPAC2-propan-2-yl-4-[4-[(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline
SMILESCC(C)c1nc2c(c(Oc3ccc(Oc4nc(C(C)C)nc5c4CCCC5)cc3)n1)CCCC2
InChIInChI=1S/C28H34N4O2/c1-17(2)25-29-23-11-7-5-9-21(23)27(31-25)33-19-13-15-20(16-14-19)34-28-22-10-6-8-12-24(22)30-26(32-28)18(3)4/h13-18H,5-12H2,1-4H3
InChIKeyPXYLTSYLOOYTEM-UHFFFAOYSA-N
MW458.61 g/mol
LogP6.86
Rot. Bonds6

About 2-propan-2-yl-4-[4-[(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline

2-propan-2-yl-4-[4-[(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline (PubChem CID 153409021) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 2-propan-2-yl-4-[4-[(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2-propan-2-yl-4-[4-[(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline
PubChem CID153409021
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name2-propan-2-yl-4-[4-[(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline
SMILESCC(C)c1nc2c(c(Oc3ccc(Oc4nc(C(C)C)nc5c4CCCC5)cc3)n1)CCCC2
InChIInChI=1S/C28H34N4O2/c1-17(2)25-29-23-11-7-5-9-21(23)27(31-25)33-19-13-15-20(16-14-19)34-28-22-10-6-8-12-24(22)30-26(32-28)18(3)4/h13-18H,5-12H2,1-4H3
InChIKeyPXYLTSYLOOYTEM-UHFFFAOYSA-N
XLogP6.86
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-propan-2-yl-4-[4-[(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-[4-[(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2-propan-2-yl-4-[4-[(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline (CID 153409021) is 2-propan-2-yl-4-[4-[(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2-propan-2-yl-4-[4-[(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2-propan-2-yl-4-[4-[(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline is CC(C)c1nc2c(c(Oc3ccc(Oc4nc(C(C)C)nc5c4CCCC5)cc3)n1)CCCC2.
What is the InChIKey of 2-propan-2-yl-4-[4-[(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline?
The InChIKey is PXYLTSYLOOYTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-17(2)25-29-23-11-7-5-9-21(23)27(31-25)33-19-13-15-20(16-14-19)34-28-22-10-6-8-12-24(22)30-26(32-28)18(3)4/h13-18H,5-12H2,1-4H3.
What are the key properties of 2-propan-2-yl-4-[4-[(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline?
2-propan-2-yl-4-[4-[(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline has a molecular weight of 458.61 g/mol, XLogP of 6.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[4-[(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 153409021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).