3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

C17H19N3O — CID 757826

IUPAC3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
SMILESNn1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C17H19N3O/c18-20-11-19-15-13-7-3-2-6-12(13)10-17(14(15)16(20)21)8-4-1-5-9-17/h2-3,6-7,11H,1,4-5,8-10,18H2
InChIKeyILSAONGGBDPOMC-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.38
Rot. Bonds

About 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one (PubChem CID 757826) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
PubChem CID757826
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
SMILESNn1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C17H19N3O/c18-20-11-19-15-13-7-3-2-6-12(13)10-17(14(15)16(20)21)8-4-1-5-9-17/h2-3,6-7,11H,1,4-5,8-10,18H2
InChIKeyILSAONGGBDPOMC-UHFFFAOYSA-N
XLogP2.38
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The IUPAC name of 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one (CID 757826) is 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
What is the SMILES notation for 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The canonical SMILES for 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is Nn1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2.
What is the InChIKey of 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The InChIKey is ILSAONGGBDPOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-20-11-19-15-13-7-3-2-6-12(13)10-17(14(15)16(20)21)8-4-1-5-9-17/h2-3,6-7,11H,1,4-5,8-10,18H2.
What are the key properties of 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one has a molecular weight of 281.36 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is sourced from PubChem (CID 757826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).