3-ethyl-8-methylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one

C16H22N2O — CID 141349143

IUPAC3-ethyl-8-methylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one
SMILESCCN1C(=O)c2cccc(C)c2NC12CCCCC2
InChIInChI=1S/C16H22N2O/c1-3-18-15(19)13-9-7-8-12(2)14(13)17-16(18)10-5-4-6-11-16/h7-9,17H,3-6,10-11H2,1-2H3
InChIKeyCDIKMYMJDAGNIT-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.54
Rot. Bonds1

About 3-ethyl-8-methylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one

3-ethyl-8-methylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one (PubChem CID 141349143) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-ethyl-8-methylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name3-ethyl-8-methylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one
PubChem CID141349143
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-ethyl-8-methylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one
SMILESCCN1C(=O)c2cccc(C)c2NC12CCCCC2
InChIInChI=1S/C16H22N2O/c1-3-18-15(19)13-9-7-8-12(2)14(13)17-16(18)10-5-4-6-11-16/h7-9,17H,3-6,10-11H2,1-2H3
InChIKeyCDIKMYMJDAGNIT-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethylspiro[1H-quinazoline-2,1'-cyclopentane]-4-one
CID 3780177
4-ethyl-5-methylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 115097630
1-ethylspiro[3H-quinazoline-2,4'-piperidine]-4-one
CID 53337683
1-benzylspiro[3H-quinazoline-2,1'-cyclohexane]-4-one
CID 13441558
4-tert-butyl-9-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 10610442
8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 24715101
8-methyl-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875634
2-(4-chlorophenyl)-3-ethyl-2-methyl-1H-quinazolin-4-one
CID 54778170
3-(dimethylamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one
CID 134116644
4-ethyl-8-fluorospiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098036
4,8-dimethylspiro[3,4-dihydro-1H-quinoline-2,1'-cycloheptane]
CID 5213420
6-methylspiro[4,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclohexane]-2-one
CID 115554290

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-methylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one?
The IUPAC name of 3-ethyl-8-methylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one (CID 141349143) is 3-ethyl-8-methylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one.
What is the SMILES notation for 3-ethyl-8-methylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one?
The canonical SMILES for 3-ethyl-8-methylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one is CCN1C(=O)c2cccc(C)c2NC12CCCCC2.
What is the InChIKey of 3-ethyl-8-methylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one?
The InChIKey is CDIKMYMJDAGNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-18-15(19)13-9-7-8-12(2)14(13)17-16(18)10-5-4-6-11-16/h7-9,17H,3-6,10-11H2,1-2H3.
What are the key properties of 3-ethyl-8-methylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one?
3-ethyl-8-methylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one has a molecular weight of 258.36 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-methylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 141349143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).