[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-cyclooctylazanium

C19H27N4O2+ — CID 8558706

IUPAC[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-cyclooctylazanium
SMILESNC(=O)Cn1c(C[NH2+]C2CCCCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C19H26N4O2/c20-17(24)13-23-18(12-21-14-8-4-2-1-3-5-9-14)22-16-11-7-6-10-15(16)19(23)25/h6-7,10-11,14,21H,1-5,8-9,12-13H2,(H2,20,24)/p+1
InChIKeyHBIAYXCUIRANLH-UHFFFAOYSA-O
MW343.45 g/mol
LogP1.06
Rot. Bonds5

About [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-cyclooctylazanium

[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-cyclooctylazanium (PubChem CID 8558706) has the molecular formula C19H27N4O2+ and a molecular weight of 343.45 g/mol. Its IUPAC name is [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-cyclooctylazanium.

Molecular Properties

Compound Name[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-cyclooctylazanium
PubChem CID8558706
Molecular FormulaC19H27N4O2+
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-cyclooctylazanium
SMILESNC(=O)Cn1c(C[NH2+]C2CCCCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C19H26N4O2/c20-17(24)13-23-18(12-21-14-8-4-2-1-3-5-9-14)22-16-11-7-6-10-15(16)19(23)25/h6-7,10-11,14,21H,1-5,8-9,12-13H2,(H2,20,24)/p+1
InChIKeyHBIAYXCUIRANLH-UHFFFAOYSA-O
XLogP1.06
TPSA94.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
CID 8679806
1-adamantyl-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]azanium
CID 7614296
2-[2-[[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-2-yl]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 11931853
methyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate
CID 8754555
N-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
CID 655418
2-(2-benzyl-4-oxoquinazolin-3-yl)-N-cyclohexylacetamide
CID 1462734
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium
CID 8926054
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923695
N-[(1S,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
CID 1166555
N,N-dicyclohexyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 23967281
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
CID 8688250
2-[4-oxo-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]acetamide
CID 8595292

Frequently Asked Questions

What is the IUPAC name of [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-cyclooctylazanium?
The IUPAC name of [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-cyclooctylazanium (CID 8558706) is [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-cyclooctylazanium.
What is the SMILES notation for [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-cyclooctylazanium?
The canonical SMILES for [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-cyclooctylazanium is NC(=O)Cn1c(C[NH2+]C2CCCCCCC2)nc2ccccc2c1=O.
What is the InChIKey of [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-cyclooctylazanium?
The InChIKey is HBIAYXCUIRANLH-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H26N4O2/c20-17(24)13-23-18(12-21-14-8-4-2-1-3-5-9-14)22-16-11-7-6-10-15(16)19(23)25/h6-7,10-11,14,21H,1-5,8-9,12-13H2,(H2,20,24)/p+1.
What are the key properties of [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-cyclooctylazanium?
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-cyclooctylazanium has a molecular weight of 343.45 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-cyclooctylazanium is sourced from PubChem (CID 8558706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).