5,5-dimethyl-8-propan-2-yloxy-6H-benzo[h]quinazolin-4-amine

C17H21N3O — CID 162670226

IUPAC5,5-dimethyl-8-propan-2-yloxy-6H-benzo[h]quinazolin-4-amine
SMILESCC(C)Oc1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2
InChIInChI=1S/C17H21N3O/c1-10(2)21-12-5-6-13-11(7-12)8-17(3,4)14-15(13)19-9-20-16(14)18/h5-7,9-10H,8H2,1-4H3,(H2,18,19,20)
InChIKeyZZGMXFZLMYPUQG-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.35
Rot. Bonds2

About 5,5-dimethyl-8-propan-2-yloxy-6H-benzo[h]quinazolin-4-amine

5,5-dimethyl-8-propan-2-yloxy-6H-benzo[h]quinazolin-4-amine (PubChem CID 162670226) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 5,5-dimethyl-8-propan-2-yloxy-6H-benzo[h]quinazolin-4-amine.

Molecular Properties

Compound Name5,5-dimethyl-8-propan-2-yloxy-6H-benzo[h]quinazolin-4-amine
PubChem CID162670226
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name5,5-dimethyl-8-propan-2-yloxy-6H-benzo[h]quinazolin-4-amine
SMILESCC(C)Oc1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2
InChIInChI=1S/C17H21N3O/c1-10(2)21-12-5-6-13-11(7-12)8-17(3,4)14-15(13)19-9-20-16(14)18/h5-7,9-10H,8H2,1-4H3,(H2,18,19,20)
InChIKeyZZGMXFZLMYPUQG-UHFFFAOYSA-N
XLogP3.35
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-8-propan-2-yloxy-6H-benzo[h]quinazolin-4-amine?
The IUPAC name of 5,5-dimethyl-8-propan-2-yloxy-6H-benzo[h]quinazolin-4-amine (CID 162670226) is 5,5-dimethyl-8-propan-2-yloxy-6H-benzo[h]quinazolin-4-amine.
What is the SMILES notation for 5,5-dimethyl-8-propan-2-yloxy-6H-benzo[h]quinazolin-4-amine?
The canonical SMILES for 5,5-dimethyl-8-propan-2-yloxy-6H-benzo[h]quinazolin-4-amine is CC(C)Oc1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2.
What is the InChIKey of 5,5-dimethyl-8-propan-2-yloxy-6H-benzo[h]quinazolin-4-amine?
The InChIKey is ZZGMXFZLMYPUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-10(2)21-12-5-6-13-11(7-12)8-17(3,4)14-15(13)19-9-20-16(14)18/h5-7,9-10H,8H2,1-4H3,(H2,18,19,20).
What are the key properties of 5,5-dimethyl-8-propan-2-yloxy-6H-benzo[h]quinazolin-4-amine?
5,5-dimethyl-8-propan-2-yloxy-6H-benzo[h]quinazolin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-8-propan-2-yloxy-6H-benzo[h]quinazolin-4-amine is sourced from PubChem (CID 162670226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).