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

C16H17N3O — CID 799645

IUPAC3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
SMILESNn1cnc2c(c1=O)C1(CCCC1)Cc1ccccc1-2
InChIInChI=1S/C16H17N3O/c17-19-10-18-14-12-6-2-1-5-11(12)9-16(7-3-4-8-16)13(14)15(19)20/h1-2,5-6,10H,3-4,7-9,17H2
InChIKeyVQMVFISLGPSWGO-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.99
Rot. Bonds

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

3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one (PubChem CID 799645) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
PubChem CID799645
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
SMILESNn1cnc2c(c1=O)C1(CCCC1)Cc1ccccc1-2
InChIInChI=1S/C16H17N3O/c17-19-10-18-14-12-6-2-1-5-11(12)9-16(7-3-4-8-16)13(14)15(19)20/h1-2,5-6,10H,3-4,7-9,17H2
InChIKeyVQMVFISLGPSWGO-UHFFFAOYSA-N
XLogP1.99
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.99
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'-cyclopentane]-4-one?
The IUPAC name of 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one (CID 799645) is 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
What is the SMILES notation for 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The canonical SMILES for 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one is Nn1cnc2c(c1=O)C1(CCCC1)Cc1ccccc1-2.
What is the InChIKey of 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The InChIKey is VQMVFISLGPSWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-19-10-18-14-12-6-2-1-5-11(12)9-16(7-3-4-8-16)13(14)15(19)20/h1-2,5-6,10H,3-4,7-9,17H2.
What are the key properties of 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one?
3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one has a molecular weight of 267.33 g/mol, XLogP of 1.99, 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'-cyclopentane]-4-one is sourced from PubChem (CID 799645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).