8-[1-(3-aminocyclobutyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine

C20H24N4 — CID 162656555

IUPAC8-[1-(3-aminocyclobutyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine
SMILESC=C(c1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2)C1CC(N)C1
InChIInChI=1S/C20H24N4/c1-11(13-7-15(21)8-13)12-4-5-16-14(6-12)9-20(2,3)17-18(16)23-10-24-19(17)22/h4-6,10,13,15H,1,7-9,21H2,2-3H3,(H2,22,23,24)
InChIKeyPMOWPKYRAAPBCE-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.31
Rot. Bonds2

About 8-[1-(3-aminocyclobutyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine

8-[1-(3-aminocyclobutyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine (PubChem CID 162656555) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 8-[1-(3-aminocyclobutyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine.

Molecular Properties

Compound Name8-[1-(3-aminocyclobutyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine
PubChem CID162656555
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name8-[1-(3-aminocyclobutyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine
SMILESC=C(c1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2)C1CC(N)C1
InChIInChI=1S/C20H24N4/c1-11(13-7-15(21)8-13)12-4-5-16-14(6-12)9-20(2,3)17-18(16)23-10-24-19(17)22/h4-6,10,13,15H,1,7-9,21H2,2-3H3,(H2,22,23,24)
InChIKeyPMOWPKYRAAPBCE-UHFFFAOYSA-N
XLogP3.31
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(3-aminocyclobutyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine?
The IUPAC name of 8-[1-(3-aminocyclobutyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine (CID 162656555) is 8-[1-(3-aminocyclobutyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine.
What is the SMILES notation for 8-[1-(3-aminocyclobutyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine?
The canonical SMILES for 8-[1-(3-aminocyclobutyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine is C=C(c1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2)C1CC(N)C1.
What is the InChIKey of 8-[1-(3-aminocyclobutyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine?
The InChIKey is PMOWPKYRAAPBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-11(13-7-15(21)8-13)12-4-5-16-14(6-12)9-20(2,3)17-18(16)23-10-24-19(17)22/h4-6,10,13,15H,1,7-9,21H2,2-3H3,(H2,22,23,24).
What are the key properties of 8-[1-(3-aminocyclobutyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine?
8-[1-(3-aminocyclobutyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine has a molecular weight of 320.44 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(3-aminocyclobutyl)ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine is sourced from PubChem (CID 162656555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).