spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-amine

C17H19N3 — CID 834226

IUPACspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-amine
SMILESNc1ncnc2c1C1(CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C17H19N3/c18-16-14-15(19-11-20-16)13-7-3-2-6-12(13)10-17(14)8-4-1-5-9-17/h2-3,6-7,11H,1,4-5,8-10H2,(H2,18,19,20)
InChIKeyGLSZFCWQUSHZNG-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.48
Rot. Bonds

About spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-amine

spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-amine (PubChem CID 834226) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Namespiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-amine
PubChem CID834226
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Namespiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-amine
SMILESNc1ncnc2c1C1(CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C17H19N3/c18-16-14-15(19-11-20-16)13-7-3-2-6-12(13)10-17(14)8-4-1-5-9-17/h2-3,6-7,11H,1,4-5,8-10H2,(H2,18,19,20)
InChIKeyGLSZFCWQUSHZNG-UHFFFAOYSA-N
XLogP3.48
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-amine?
The IUPAC name of spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-amine (CID 834226) is spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-amine.
What is the SMILES notation for spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-amine?
The canonical SMILES for spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-amine is Nc1ncnc2c1C1(CCCCC1)Cc1ccccc1-2.
What is the InChIKey of spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-amine?
The InChIKey is GLSZFCWQUSHZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c18-16-14-15(19-11-20-16)13-7-3-2-6-12(13)10-17(14)8-4-1-5-9-17/h2-3,6-7,11H,1,4-5,8-10H2,(H2,18,19,20).
What are the key properties of spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-amine?
spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-amine has a molecular weight of 265.36 g/mol, XLogP of 3.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-amine is sourced from PubChem (CID 834226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).