[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate

C19H23N3O4 — CID 46792790

IUPAC[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESCC1CCCCC1NC(=O)COC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C19H23N3O4/c1-13-6-2-4-8-15(13)21-17(23)11-26-18(24)10-22-12-20-16-9-5-3-7-14(16)19(22)25/h3,5,7,9,12-13,15H,2,4,6,8,10-11H2,1H3,(H,21,23)
InChIKeySRTFQNWRLDCHPJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.63
Rot. Bonds5

About [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate

[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 46792790) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID46792790
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESCC1CCCCC1NC(=O)COC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C19H23N3O4/c1-13-6-2-4-8-15(13)21-17(23)11-26-18(24)10-22-12-20-16-9-5-3-7-14(16)19(22)25/h3,5,7,9,12-13,15H,2,4,6,8,10-11H2,1H3,(H,21,23)
InChIKeySRTFQNWRLDCHPJ-UHFFFAOYSA-N
XLogP1.63
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate with MolForge

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Related Compounds

N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2999724
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 11918031
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 7905012
N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 51280662
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 110164098
[2-(2-ethylanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995489
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 2482812
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 25437008
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 25437012
N-[(1S,2S)-2-methylcyclohexyl]-2-quinazolin-4-yloxyacetamide
CID 2693322
[2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938357

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (CID 46792790) is [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is CC1CCCCC1NC(=O)COC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is SRTFQNWRLDCHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13-6-2-4-8-15(13)21-17(23)11-26-18(24)10-22-12-20-16-9-5-3-7-14(16)19(22)25/h3,5,7,9,12-13,15H,2,4,6,8,10-11H2,1H3,(H,21,23).
What are the key properties of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 357.41 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 46792790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).