2-ethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one

C18H20N2O — CID 135449203

IUPAC2-ethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
SMILESCCc1nc2c(c(=O)[nH]1)C1(CCCC1)Cc1ccccc1-2
InChIInChI=1S/C18H20N2O/c1-2-14-19-16-13-8-4-3-7-12(13)11-18(9-5-6-10-18)15(16)17(21)20-14/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,19,20,21)
InChIKeyGZEUYSVXKMAKKL-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.37
Rot. Bonds1

About 2-ethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one

2-ethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one (PubChem CID 135449203) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-ethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name2-ethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
PubChem CID135449203
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-ethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
SMILESCCc1nc2c(c(=O)[nH]1)C1(CCCC1)Cc1ccccc1-2
InChIInChI=1S/C18H20N2O/c1-2-14-19-16-13-8-4-3-7-12(13)11-18(9-5-6-10-18)15(16)17(21)20-14/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,19,20,21)
InChIKeyGZEUYSVXKMAKKL-UHFFFAOYSA-N
XLogP3.37
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(Dimethylamino)methyl]-5,5-diethyl-5,6-dihydrobenzo[h]quinazolin-4-ol
CID 135400164
2-Chloromethyl-5,5-diethyl-5,6-dihydro-3H-benzo[h]quinazolin-4-one
CID 135516038
10,11,12,13-tetrahydro-5H-spiro[azepino[2,1-b]benzo[h]quinazoline-6,1'-cyclopentan]-7(9H)-one
CID 656342
2,6-Dimethyl-5-phenyl-3H-pyrimidin-4-one
CID 135407240
N-(4-oxo-3-spiro[6H-benzo[h]quinazoline-5,1''-cyclopentane]yl)butanamide
CID 657671
6-ethyl-6-methyl-5,6,10,11,12,13-hexahydroazepino[2,1-b]benzo[h]quinazolin-7(9H)-one
CID 663575
2-(Diethylaminomethyl)-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one
CID 135450618
6-Methyl-5-phenyl-2-((E)-styryl)-3H-pyrimidin-4-one
CID 135517050
6-methyl-2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)propyl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CID 135960847
2,5,5-Triethyl-5,6-dihydro-3H-benzo[h]quinazolin-4-one
CID 135516037
2-[(5-Ethyl-4-hydroxy-5-methyl-5,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetamide
CID 135473914
2-Diethylaminomethyl-5,5-diethyl-5,6-dihydro-3H-benzo[h]quinazolin-4-one
CID 135516039

Frequently Asked Questions

What is the IUPAC name of 2-ethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The IUPAC name of 2-ethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one (CID 135449203) is 2-ethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one.
What is the SMILES notation for 2-ethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The canonical SMILES for 2-ethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one is CCc1nc2c(c(=O)[nH]1)C1(CCCC1)Cc1ccccc1-2.
What is the InChIKey of 2-ethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The InChIKey is GZEUYSVXKMAKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-14-19-16-13-8-4-3-7-12(13)11-18(9-5-6-10-18)15(16)17(21)20-14/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,19,20,21).
What are the key properties of 2-ethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one?
2-ethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one has a molecular weight of 280.37 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one is sourced from PubChem (CID 135449203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).