8-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine

C21H23N3 — CID 162659803

IUPAC8-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine
SMILESC=C(c1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2)C12CC(C1)C2
InChIInChI=1S/C21H23N3/c1-12(21-7-13(8-21)9-21)14-4-5-16-15(6-14)10-20(2,3)17-18(16)23-11-24-19(17)22/h4-6,11,13H,1,7-10H2,2-3H3,(H2,22,23,24)
InChIKeyFNUKNDGPMZWPFL-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.37
Rot. Bonds2

About 8-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine

8-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine (PubChem CID 162659803) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 8-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine.

Molecular Properties

Compound Name8-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine
PubChem CID162659803
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name8-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine
SMILESC=C(c1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2)C12CC(C1)C2
InChIInChI=1S/C21H23N3/c1-12(21-7-13(8-21)9-21)14-4-5-16-15(6-14)10-20(2,3)17-18(16)23-11-24-19(17)22/h4-6,11,13H,1,7-10H2,2-3H3,(H2,22,23,24)
InChIKeyFNUKNDGPMZWPFL-UHFFFAOYSA-N
XLogP4.37
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine?
The IUPAC name of 8-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine (CID 162659803) is 8-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine.
What is the SMILES notation for 8-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine?
The canonical SMILES for 8-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine is C=C(c1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2)C12CC(C1)C2.
What is the InChIKey of 8-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine?
The InChIKey is FNUKNDGPMZWPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-12(21-7-13(8-21)9-21)14-4-5-16-15(6-14)10-20(2,3)17-18(16)23-11-24-19(17)22/h4-6,11,13H,1,7-10H2,2-3H3,(H2,22,23,24).
What are the key properties of 8-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine?
8-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine has a molecular weight of 317.44 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(1-bicyclo[1.1.1]pentanyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine is sourced from PubChem (CID 162659803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).