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

C30H38N4O2 — CID 153409026

IUPAC2-tert-butyl-4-[4-[(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline
SMILESCC(C)(C)c1nc2c(c(Oc3ccc(Oc4nc(C(C)(C)C)nc5c4CCCC5)cc3)n1)CCCC2
InChIInChI=1S/C30H38N4O2/c1-29(2,3)27-31-23-13-9-7-11-21(23)25(33-27)35-19-15-17-20(18-16-19)36-26-22-12-8-10-14-24(22)32-28(34-26)30(4,5)6/h15-18H,7-14H2,1-6H3
InChIKeyWDAVXYXEFUZUHV-UHFFFAOYSA-N
MW486.66 g/mol
LogP7.20
Rot. Bonds4

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

2-tert-butyl-4-[4-[(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline (PubChem CID 153409026) has the molecular formula C30H38N4O2 and a molecular weight of 486.66 g/mol. Its IUPAC name is 2-tert-butyl-4-[4-[(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2-tert-butyl-4-[4-[(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline
PubChem CID153409026
Molecular FormulaC30H38N4O2
Molecular Weight486.66 g/mol
Exact Mass486.30
IUPAC Name2-tert-butyl-4-[4-[(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline
SMILESCC(C)(C)c1nc2c(c(Oc3ccc(Oc4nc(C(C)(C)C)nc5c4CCCC5)cc3)n1)CCCC2
InChIInChI=1S/C30H38N4O2/c1-29(2,3)27-31-23-13-9-7-11-21(23)25(33-27)35-19-15-17-20(18-16-19)36-26-22-12-8-10-14-24(22)32-28(34-26)30(4,5)6/h15-18H,7-14H2,1-6H3
InChIKeyWDAVXYXEFUZUHV-UHFFFAOYSA-N
XLogP7.20
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[4-[(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2-tert-butyl-4-[4-[(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline (CID 153409026) is 2-tert-butyl-4-[4-[(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2-tert-butyl-4-[4-[(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2-tert-butyl-4-[4-[(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline is CC(C)(C)c1nc2c(c(Oc3ccc(Oc4nc(C(C)(C)C)nc5c4CCCC5)cc3)n1)CCCC2.
What is the InChIKey of 2-tert-butyl-4-[4-[(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline?
The InChIKey is WDAVXYXEFUZUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O2/c1-29(2,3)27-31-23-13-9-7-11-21(23)25(33-27)35-19-15-17-20(18-16-19)36-26-22-12-8-10-14-24(22)32-28(34-26)30(4,5)6/h15-18H,7-14H2,1-6H3.
What are the key properties of 2-tert-butyl-4-[4-[(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline?
2-tert-butyl-4-[4-[(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline has a molecular weight of 486.66 g/mol, XLogP of 7.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[4-[(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]phenoxy]-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 153409026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).