carbamoyl 2-(quinolin-8-ylamino)acetate

C12H11N3O3 — CID 139238226

IUPACcarbamoyl 2-(quinolin-8-ylamino)acetate
SMILESNC(=O)OC(=O)CNc1cccc2cccnc12
InChIInChI=1S/C12H11N3O3/c13-12(17)18-10(16)7-15-9-5-1-3-8-4-2-6-14-11(8)9/h1-6,15H,7H2,(H2,13,17)
InChIKeyZGFUSIJDLRZCOT-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.27
Rot. Bonds3

About carbamoyl 2-(quinolin-8-ylamino)acetate

carbamoyl 2-(quinolin-8-ylamino)acetate (PubChem CID 139238226) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is carbamoyl 2-(quinolin-8-ylamino)acetate.

Molecular Properties

Compound Namecarbamoyl 2-(quinolin-8-ylamino)acetate
PubChem CID139238226
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Namecarbamoyl 2-(quinolin-8-ylamino)acetate
SMILESNC(=O)OC(=O)CNc1cccc2cccnc12
InChIInChI=1S/C12H11N3O3/c13-12(17)18-10(16)7-15-9-5-1-3-8-4-2-6-14-11(8)9/h1-6,15H,7H2,(H2,13,17)
InChIKeyZGFUSIJDLRZCOT-UHFFFAOYSA-N
XLogP1.27
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010779
ethyl 4-[2-(quinolin-8-ylamino)acetyl]piperazine-1-carboxylate
CID 109003913
N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008069
N-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008347
[2,2-dimethyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate
CID 177454092
N-ethyl-N-phenyl-2-(quinolin-8-ylamino)acetamide
CID 109007764
N-(2,5-dichlorophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010978
N-methyl-4-[(quinolin-8-ylamino)methyl]benzamide
CID 157391991
ethyl 2-oxo-2-(quinolin-8-ylamino)acetate
CID 10421911
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813
5-(quinolin-8-ylamino)pentylcarbamic acid
CID 126720717
carbamoperoxoic acid;quinolin-8-ol
CID 175492056

Frequently Asked Questions

What is the IUPAC name of carbamoyl 2-(quinolin-8-ylamino)acetate?
The IUPAC name of carbamoyl 2-(quinolin-8-ylamino)acetate (CID 139238226) is carbamoyl 2-(quinolin-8-ylamino)acetate.
What is the SMILES notation for carbamoyl 2-(quinolin-8-ylamino)acetate?
The canonical SMILES for carbamoyl 2-(quinolin-8-ylamino)acetate is NC(=O)OC(=O)CNc1cccc2cccnc12.
What is the InChIKey of carbamoyl 2-(quinolin-8-ylamino)acetate?
The InChIKey is ZGFUSIJDLRZCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c13-12(17)18-10(16)7-15-9-5-1-3-8-4-2-6-14-11(8)9/h1-6,15H,7H2,(H2,13,17).
What are the key properties of carbamoyl 2-(quinolin-8-ylamino)acetate?
carbamoyl 2-(quinolin-8-ylamino)acetate has a molecular weight of 245.24 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 2-(quinolin-8-ylamino)acetate is sourced from PubChem (CID 139238226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).