2-tert-butyl-7-(3,3-dimethylbut-1-en-2-yl)quinazoline

C18H24N2 — CID 160630489

IUPAC2-tert-butyl-7-(3,3-dimethylbut-1-en-2-yl)quinazoline
SMILESC=C(c1ccc2cnc(C(C)(C)C)nc2c1)C(C)(C)C
InChIInChI=1S/C18H24N2/c1-12(17(2,3)4)13-8-9-14-11-19-16(18(5,6)7)20-15(14)10-13/h8-11H,1H2,2-7H3
InChIKeySEZNAQOSQWYKTK-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.99
Rot. Bonds1

About 2-tert-butyl-7-(3,3-dimethylbut-1-en-2-yl)quinazoline

2-tert-butyl-7-(3,3-dimethylbut-1-en-2-yl)quinazoline (PubChem CID 160630489) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-tert-butyl-7-(3,3-dimethylbut-1-en-2-yl)quinazoline.

Molecular Properties

Compound Name2-tert-butyl-7-(3,3-dimethylbut-1-en-2-yl)quinazoline
PubChem CID160630489
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-tert-butyl-7-(3,3-dimethylbut-1-en-2-yl)quinazoline
SMILESC=C(c1ccc2cnc(C(C)(C)C)nc2c1)C(C)(C)C
InChIInChI=1S/C18H24N2/c1-12(17(2,3)4)13-8-9-14-11-19-16(18(5,6)7)20-15(14)10-13/h8-11H,1H2,2-7H3
InChIKeySEZNAQOSQWYKTK-UHFFFAOYSA-N
XLogP4.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-(3,3-dimethylbut-1-en-2-yl)quinazoline?
The IUPAC name of 2-tert-butyl-7-(3,3-dimethylbut-1-en-2-yl)quinazoline (CID 160630489) is 2-tert-butyl-7-(3,3-dimethylbut-1-en-2-yl)quinazoline.
What is the SMILES notation for 2-tert-butyl-7-(3,3-dimethylbut-1-en-2-yl)quinazoline?
The canonical SMILES for 2-tert-butyl-7-(3,3-dimethylbut-1-en-2-yl)quinazoline is C=C(c1ccc2cnc(C(C)(C)C)nc2c1)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-7-(3,3-dimethylbut-1-en-2-yl)quinazoline?
The InChIKey is SEZNAQOSQWYKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-12(17(2,3)4)13-8-9-14-11-19-16(18(5,6)7)20-15(14)10-13/h8-11H,1H2,2-7H3.
What are the key properties of 2-tert-butyl-7-(3,3-dimethylbut-1-en-2-yl)quinazoline?
2-tert-butyl-7-(3,3-dimethylbut-1-en-2-yl)quinazoline has a molecular weight of 268.40 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-(3,3-dimethylbut-1-en-2-yl)quinazoline is sourced from PubChem (CID 160630489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).