3-(cyclohexylideneamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one

C19H25N3O — CID 886932

IUPAC3-(cyclohexylideneamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one
SMILESO=C1c2ccccc2NC2(CCCCC2)N1N=C1CCCCC1
InChIInChI=1S/C19H25N3O/c23-18-16-11-5-6-12-17(16)20-19(13-7-2-8-14-19)22(18)21-15-9-3-1-4-10-15/h5-6,11-12,20H,1-4,7-10,13-14H2
InChIKeyIUPDPJRJVKUPMI-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.53
Rot. Bonds1

About 3-(cyclohexylideneamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one

3-(cyclohexylideneamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one (PubChem CID 886932) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-(cyclohexylideneamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name3-(cyclohexylideneamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one
PubChem CID886932
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name3-(cyclohexylideneamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one
SMILESO=C1c2ccccc2NC2(CCCCC2)N1N=C1CCCCC1
InChIInChI=1S/C19H25N3O/c23-18-16-11-5-6-12-17(16)20-19(13-7-2-8-14-19)22(18)21-15-9-3-1-4-10-15/h5-6,11-12,20H,1-4,7-10,13-14H2
InChIKeyIUPDPJRJVKUPMI-UHFFFAOYSA-N
XLogP4.53
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylideneamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one?
The IUPAC name of 3-(cyclohexylideneamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one (CID 886932) is 3-(cyclohexylideneamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one.
What is the SMILES notation for 3-(cyclohexylideneamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one?
The canonical SMILES for 3-(cyclohexylideneamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one is O=C1c2ccccc2NC2(CCCCC2)N1N=C1CCCCC1.
What is the InChIKey of 3-(cyclohexylideneamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one?
The InChIKey is IUPDPJRJVKUPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c23-18-16-11-5-6-12-17(16)20-19(13-7-2-8-14-19)22(18)21-15-9-3-1-4-10-15/h5-6,11-12,20H,1-4,7-10,13-14H2.
What are the key properties of 3-(cyclohexylideneamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one?
3-(cyclohexylideneamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one has a molecular weight of 311.43 g/mol, XLogP of 4.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylideneamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 886932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).