ethyl 2-[6-(5-hydroxy-2,7-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl)-4-oxoquinazolin-3-yl]acetate

C20H25N3O4 — CID 91262179

IUPACethyl 2-[6-(5-hydroxy-2,7-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl)-4-oxoquinazolin-3-yl]acetate
SMILESCCOC(=O)Cn1cnc2ccc(C3(O)CC4C(C)C3CN4C)cc2c1=O
InChIInChI=1S/C20H25N3O4/c1-4-27-18(24)10-23-11-21-16-6-5-13(7-14(16)19(23)25)20(26)8-17-12(2)15(20)9-22(17)3/h5-7,11-12,15,17,26H,4,8-10H2,1-3H3
InChIKeyHZLWFGKGDSSYMR-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.12
Rot. Bonds4

About ethyl 2-[6-(5-hydroxy-2,7-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl)-4-oxoquinazolin-3-yl]acetate

ethyl 2-[6-(5-hydroxy-2,7-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl)-4-oxoquinazolin-3-yl]acetate (PubChem CID 91262179) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is ethyl 2-[6-(5-hydroxy-2,7-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl)-4-oxoquinazolin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(5-hydroxy-2,7-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl)-4-oxoquinazolin-3-yl]acetate
PubChem CID91262179
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Nameethyl 2-[6-(5-hydroxy-2,7-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl)-4-oxoquinazolin-3-yl]acetate
SMILESCCOC(=O)Cn1cnc2ccc(C3(O)CC4C(C)C3CN4C)cc2c1=O
InChIInChI=1S/C20H25N3O4/c1-4-27-18(24)10-23-11-21-16-6-5-13(7-14(16)19(23)25)20(26)8-17-12(2)15(20)9-22(17)3/h5-7,11-12,15,17,26H,4,8-10H2,1-3H3
InChIKeyHZLWFGKGDSSYMR-UHFFFAOYSA-N
XLogP1.12
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[6-(5-hydroxy-2,7-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl)-4-oxoquinazolin-3-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

benzyl 5-[3-(2-ethoxy-2-oxoethyl)-4-oxoquinazolin-6-yl]-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 59238175
butyl 2-(6-chloro-4-oxoquinazolin-3-yl)acetate
CID 78791515
ethyl (3S)-1-[2-(6-chloro-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylate
CID 30025892
ethyl 2-[[2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetyl]amino]acetate
CID 3245220
6-chloro-3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7587468
ethyl 2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetate
CID 9136125
6-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one
CID 51951439
6-bromo-3-[2-[(3R)-3-methylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 124620535
ethyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 36861207
N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
CID 46484188
6-bromo-3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one
CID 51196186
methyl 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetate
CID 122603685

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(5-hydroxy-2,7-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl)-4-oxoquinazolin-3-yl]acetate?
The IUPAC name of ethyl 2-[6-(5-hydroxy-2,7-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl)-4-oxoquinazolin-3-yl]acetate (CID 91262179) is ethyl 2-[6-(5-hydroxy-2,7-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl)-4-oxoquinazolin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[6-(5-hydroxy-2,7-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl)-4-oxoquinazolin-3-yl]acetate?
The canonical SMILES for ethyl 2-[6-(5-hydroxy-2,7-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl)-4-oxoquinazolin-3-yl]acetate is CCOC(=O)Cn1cnc2ccc(C3(O)CC4C(C)C3CN4C)cc2c1=O.
What is the InChIKey of ethyl 2-[6-(5-hydroxy-2,7-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl)-4-oxoquinazolin-3-yl]acetate?
The InChIKey is HZLWFGKGDSSYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-4-27-18(24)10-23-11-21-16-6-5-13(7-14(16)19(23)25)20(26)8-17-12(2)15(20)9-22(17)3/h5-7,11-12,15,17,26H,4,8-10H2,1-3H3.
What are the key properties of ethyl 2-[6-(5-hydroxy-2,7-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl)-4-oxoquinazolin-3-yl]acetate?
ethyl 2-[6-(5-hydroxy-2,7-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl)-4-oxoquinazolin-3-yl]acetate has a molecular weight of 371.44 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(5-hydroxy-2,7-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl)-4-oxoquinazolin-3-yl]acetate is sourced from PubChem (CID 91262179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).