3-ethylspiro[1H-quinazoline-2,1'-cyclopentane]-4-one

C14H18N2O — CID 3780177

IUPAC3-ethylspiro[1H-quinazoline-2,1'-cyclopentane]-4-one
SMILESCCN1C(=O)c2ccccc2NC12CCCC2
InChIInChI=1S/C14H18N2O/c1-2-16-13(17)11-7-3-4-8-12(11)15-14(16)9-5-6-10-14/h3-4,7-8,15H,2,5-6,9-10H2,1H3
InChIKeyZYRVQFHGTMUACN-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.84
Rot. Bonds1

About 3-ethylspiro[1H-quinazoline-2,1'-cyclopentane]-4-one

3-ethylspiro[1H-quinazoline-2,1'-cyclopentane]-4-one (PubChem CID 3780177) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-ethylspiro[1H-quinazoline-2,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name3-ethylspiro[1H-quinazoline-2,1'-cyclopentane]-4-one
PubChem CID3780177
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-ethylspiro[1H-quinazoline-2,1'-cyclopentane]-4-one
SMILESCCN1C(=O)c2ccccc2NC12CCCC2
InChIInChI=1S/C14H18N2O/c1-2-16-13(17)11-7-3-4-8-12(11)15-14(16)9-5-6-10-14/h3-4,7-8,15H,2,5-6,9-10H2,1H3
InChIKeyZYRVQFHGTMUACN-UHFFFAOYSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-8-methylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one
CID 141349143
3-(dimethylamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one
CID 134116644
2-(4-chlorophenyl)-3-ethyl-2-methyl-1H-quinazolin-4-one
CID 54778170
3-benzylspiro[1H-quinazoline-2,4'-piperidine]-4-one
CID 42805958
3-ethyl-2-(2-methoxyphenyl)-2-methyl-1H-quinazolin-4-one
CID 54778006
1',3-dimethylspiro[1H-quinazoline-2,4'-piperidine]-4-one
CID 134113619
3-ethyl-2-pentyl-2-phenyl-1H-quinazolin-4-one
CID 54778185
3-(5-methyl-1H-pyrazol-3-yl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one
CID 132917833
3-[[(2S)-oxolan-2-yl]methyl]spiro[1H-quinazoline-2,4'-thiane]-4-one
CID 32967722
3-(oxolan-2-ylmethyl)spiro[1H-quinazoline-2,4'-thiane]-4-one
CID 47013379
3-ethyl-2-methyl-2-(4-prop-2-enoxyphenyl)-1H-quinazolin-4-one
CID 54780173
1-ethylspiro[3H-quinazoline-2,4'-piperidine]-4-one
CID 53337683

Frequently Asked Questions

What is the IUPAC name of 3-ethylspiro[1H-quinazoline-2,1'-cyclopentane]-4-one?
The IUPAC name of 3-ethylspiro[1H-quinazoline-2,1'-cyclopentane]-4-one (CID 3780177) is 3-ethylspiro[1H-quinazoline-2,1'-cyclopentane]-4-one.
What is the SMILES notation for 3-ethylspiro[1H-quinazoline-2,1'-cyclopentane]-4-one?
The canonical SMILES for 3-ethylspiro[1H-quinazoline-2,1'-cyclopentane]-4-one is CCN1C(=O)c2ccccc2NC12CCCC2.
What is the InChIKey of 3-ethylspiro[1H-quinazoline-2,1'-cyclopentane]-4-one?
The InChIKey is ZYRVQFHGTMUACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-16-13(17)11-7-3-4-8-12(11)15-14(16)9-5-6-10-14/h3-4,7-8,15H,2,5-6,9-10H2,1H3.
What are the key properties of 3-ethylspiro[1H-quinazoline-2,1'-cyclopentane]-4-one?
3-ethylspiro[1H-quinazoline-2,1'-cyclopentane]-4-one has a molecular weight of 230.31 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylspiro[1H-quinazoline-2,1'-cyclopentane]-4-one is sourced from PubChem (CID 3780177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).