6-bromo-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)quinazoline

C18H22BrN3 — CID 3252078

IUPAC6-bromo-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)quinazoline
SMILESCC1(C)CC2CC(C)(CN2c2ncnc3ccc(Br)cc23)C1
InChIInChI=1S/C18H22BrN3/c1-17(2)7-13-8-18(3,9-17)10-22(13)16-14-6-12(19)4-5-15(14)20-11-21-16/h4-6,11,13H,7-10H2,1-3H3
InChIKeyNNEVMBDBIWBOIP-UHFFFAOYSA-N
MW360.30 g/mol
LogP4.80
Rot. Bonds1

About 6-bromo-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)quinazoline

6-bromo-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)quinazoline (PubChem CID 3252078) has the molecular formula C18H22BrN3 and a molecular weight of 360.30 g/mol. Its IUPAC name is 6-bromo-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)quinazoline.

Molecular Properties

Compound Name6-bromo-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)quinazoline
PubChem CID3252078
Molecular FormulaC18H22BrN3
Molecular Weight360.30 g/mol
Exact Mass359.10
IUPAC Name6-bromo-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)quinazoline
SMILESCC1(C)CC2CC(C)(CN2c2ncnc3ccc(Br)cc23)C1
InChIInChI=1S/C18H22BrN3/c1-17(2)7-13-8-18(3,9-17)10-22(13)16-14-6-12(19)4-5-15(14)20-11-21-16/h4-6,11,13H,7-10H2,1-3H3
InChIKeyNNEVMBDBIWBOIP-UHFFFAOYSA-N
XLogP4.80
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)quinazoline?
The IUPAC name of 6-bromo-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)quinazoline (CID 3252078) is 6-bromo-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)quinazoline.
What is the SMILES notation for 6-bromo-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)quinazoline?
The canonical SMILES for 6-bromo-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)quinazoline is CC1(C)CC2CC(C)(CN2c2ncnc3ccc(Br)cc23)C1.
What is the InChIKey of 6-bromo-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)quinazoline?
The InChIKey is NNEVMBDBIWBOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3/c1-17(2)7-13-8-18(3,9-17)10-22(13)16-14-6-12(19)4-5-15(14)20-11-21-16/h4-6,11,13H,7-10H2,1-3H3.
What are the key properties of 6-bromo-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)quinazoline?
6-bromo-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)quinazoline has a molecular weight of 360.30 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)quinazoline is sourced from PubChem (CID 3252078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).