methyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate

C18H22N4O4 — CID 8754555

IUPACmethyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2nc3ccccc3c(=O)n2CC(N)=O)CC1
InChIInChI=1S/C18H22N4O4/c1-26-18(25)12-6-8-21(9-7-12)11-16-20-14-5-3-2-4-13(14)17(24)22(16)10-15(19)23/h2-5,12H,6-11H2,1H3,(H2,19,23)
InChIKeyGJCKDWDMLNFENS-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.27
Rot. Bonds5

About methyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate

methyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate (PubChem CID 8754555) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is methyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate
PubChem CID8754555
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Namemethyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2nc3ccccc3c(=O)n2CC(N)=O)CC1
InChIInChI=1S/C18H22N4O4/c1-26-18(25)12-6-8-21(9-7-12)11-16-20-14-5-3-2-4-13(14)17(24)22(16)10-15(19)23/h2-5,12H,6-11H2,1H3,(H2,19,23)
InChIKeyGJCKDWDMLNFENS-UHFFFAOYSA-N
XLogP0.27
TPSA107.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
CID 8679806
N-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
CID 655418
N-[(1S,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
CID 1166555
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-cyclooctylazanium
CID 8558706
ethyl 1-[(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate
CID 134084341
2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one
CID 2487613
3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one
CID 92589760
N-(4-methylphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
CID 4606267
2-[2-[(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-4-oxoquinazolin-3-yl]acetamide
CID 17414375
methyl 1-(anthracen-9-ylmethyl)piperidine-4-carboxylate
CID 100969336
2-[2-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 9132793
methyl 1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]pyrrolidine-3-carboxylate
CID 112731955

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate (CID 8754555) is methyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate is COC(=O)C1CCN(Cc2nc3ccccc3c(=O)n2CC(N)=O)CC1.
What is the InChIKey of methyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate?
The InChIKey is GJCKDWDMLNFENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-26-18(25)12-6-8-21(9-7-12)11-16-20-14-5-3-2-4-13(14)17(24)22(16)10-15(19)23/h2-5,12H,6-11H2,1H3,(H2,19,23).
What are the key properties of methyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate?
methyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate has a molecular weight of 358.40 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 8754555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).