ethyl 3-[(4-carbamoylquinolin-2-yl)amino]propanoate

C15H17N3O3 — CID 63885421

IUPACethyl 3-[(4-carbamoylquinolin-2-yl)amino]propanoate
SMILESCCOC(=O)CCNc1cc(C(N)=O)c2ccccc2n1
InChIInChI=1S/C15H17N3O3/c1-2-21-14(19)7-8-17-13-9-11(15(16)20)10-5-3-4-6-12(10)18-13/h3-6,9H,2,7-8H2,1H3,(H2,16,20)(H,17,18)
InChIKeyHKUCLYBJOFTOSY-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.70
Rot. Bonds6

About ethyl 3-[(4-carbamoylquinolin-2-yl)amino]propanoate

ethyl 3-[(4-carbamoylquinolin-2-yl)amino]propanoate (PubChem CID 63885421) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 3-[(4-carbamoylquinolin-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(4-carbamoylquinolin-2-yl)amino]propanoate
PubChem CID63885421
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nameethyl 3-[(4-carbamoylquinolin-2-yl)amino]propanoate
SMILESCCOC(=O)CCNc1cc(C(N)=O)c2ccccc2n1
InChIInChI=1S/C15H17N3O3/c1-2-21-14(19)7-8-17-13-9-11(15(16)20)10-5-3-4-6-12(10)18-13/h3-6,9H,2,7-8H2,1H3,(H2,16,20)(H,17,18)
InChIKeyHKUCLYBJOFTOSY-UHFFFAOYSA-N
XLogP1.70
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-carbamothioylquinolin-2-yl)amino]-N,N-dimethylpropanamide
CID 63886113
ethyl 3-(quinoxalin-2-ylamino)propanoate
CID 47439650
2-(2-aminopropylamino)quinoline-4-carboxamide
CID 63884670
2-[[(4-carbamoylquinolin-2-yl)amino]methyl]butanoic acid
CID 65226681
ethyl 3-[(2-chloroquinazolin-4-yl)amino]propanoate
CID 62477868
2-[(4-carbamoylquinolin-2-yl)amino]pentanoic acid
CID 63886576
3-[(4-carbamothioylquinolin-2-yl)amino]-2,2-dimethylpropanamide
CID 106277562
ethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate
CID 79235448
2-(piperidin-4-ylmethylamino)quinoline-4-carboxamide
CID 63883886
ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate
CID 80816426
ethyl 3-anilinopropanoate
CID 10910393
ethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate
CID 80908084

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-carbamoylquinolin-2-yl)amino]propanoate?
The IUPAC name of ethyl 3-[(4-carbamoylquinolin-2-yl)amino]propanoate (CID 63885421) is ethyl 3-[(4-carbamoylquinolin-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(4-carbamoylquinolin-2-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[(4-carbamoylquinolin-2-yl)amino]propanoate is CCOC(=O)CCNc1cc(C(N)=O)c2ccccc2n1.
What is the InChIKey of ethyl 3-[(4-carbamoylquinolin-2-yl)amino]propanoate?
The InChIKey is HKUCLYBJOFTOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-21-14(19)7-8-17-13-9-11(15(16)20)10-5-3-4-6-12(10)18-13/h3-6,9H,2,7-8H2,1H3,(H2,16,20)(H,17,18).
What are the key properties of ethyl 3-[(4-carbamoylquinolin-2-yl)amino]propanoate?
ethyl 3-[(4-carbamoylquinolin-2-yl)amino]propanoate has a molecular weight of 287.32 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-carbamoylquinolin-2-yl)amino]propanoate is sourced from PubChem (CID 63885421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).