ethyl 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)acetate

C22H26N2O3 — CID 23762741

IUPACethyl 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)acetate
SMILESCCOC(=O)Cc1nc2c(c(=O)n1C)C1(CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C22H26N2O3/c1-3-27-18(25)13-17-23-20-16-10-6-5-9-15(16)14-22(11-7-4-8-12-22)19(20)21(26)24(17)2/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3
InChIKeyOYDLVBWTVWTTSH-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.31
Rot. Bonds3

About ethyl 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)acetate

ethyl 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)acetate (PubChem CID 23762741) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is ethyl 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)acetate
PubChem CID23762741
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Nameethyl 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)acetate
SMILESCCOC(=O)Cc1nc2c(c(=O)n1C)C1(CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C22H26N2O3/c1-3-27-18(25)13-17-23-20-16-10-6-5-9-15(16)14-22(11-7-4-8-12-22)19(20)21(26)24(17)2/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3
InChIKeyOYDLVBWTVWTTSH-UHFFFAOYSA-N
XLogP3.31
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylphenyl) 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetate
CID 126575010
2-ethoxy-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
CID 46871602
3-ethyl-2-(2-hydroxyethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
CID 23612518
N'-(3-benzyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)propanehydrazide
CID 5221655
ethyl 2-[13-(2-ethoxy-2-oxoethyl)sulfanyl-11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-17-yl]acetate
CID 1265313
2-[3-[(4-methylphenyl)methyl]-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetamide
CID 1126088
3-ethyl-2-(2-phenylsulfanylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
CID 134122164
3-benzyl-2-hydrazinylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
CID 2861831
2-hydrazinyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
CID 1359211
2-(3-butyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetonitrile
CID 2967958
ethyl 1-aminospiro[4H-naphthalene-3,1'-cycloheptane]-2-carboxylate
CID 154574156
N'-[3-[(4R)-2,2-dimethyloxan-4-yl]-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]-2-phenylacetohydrazide
CID 40597495

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)acetate?
The IUPAC name of ethyl 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)acetate (CID 23762741) is ethyl 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)acetate?
The canonical SMILES for ethyl 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)acetate is CCOC(=O)Cc1nc2c(c(=O)n1C)C1(CCCCC1)Cc1ccccc1-2.
What is the InChIKey of ethyl 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)acetate?
The InChIKey is OYDLVBWTVWTTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-27-18(25)13-17-23-20-16-10-6-5-9-15(16)14-22(11-7-4-8-12-22)19(20)21(26)24(17)2/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3.
What are the key properties of ethyl 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)acetate?
ethyl 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)acetate has a molecular weight of 366.46 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)acetate is sourced from PubChem (CID 23762741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).