2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]propanamide

C12H17N3O2 — CID 81107696

IUPAC2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]propanamide
SMILESCC(NC1CCCc2[nH]c(=O)ccc21)C(N)=O
InChIInChI=1S/C12H17N3O2/c1-7(12(13)17)14-9-3-2-4-10-8(9)5-6-11(16)15-10/h5-7,9,14H,2-4H2,1H3,(H2,13,17)(H,15,16)
InChIKeyAJWCHQKEKPIGKB-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.22
Rot. Bonds3

About 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]propanamide

2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]propanamide (PubChem CID 81107696) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]propanamide
PubChem CID81107696
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]propanamide
SMILESCC(NC1CCCc2[nH]c(=O)ccc21)C(N)=O
InChIInChI=1S/C12H17N3O2/c1-7(12(13)17)14-9-3-2-4-10-8(9)5-6-11(16)15-10/h5-7,9,14H,2-4H2,1H3,(H2,13,17)(H,15,16)
InChIKeyAJWCHQKEKPIGKB-UHFFFAOYSA-N
XLogP0.22
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]propanamide?
The IUPAC name of 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]propanamide (CID 81107696) is 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]propanamide.
What is the SMILES notation for 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]propanamide?
The canonical SMILES for 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]propanamide is CC(NC1CCCc2[nH]c(=O)ccc21)C(N)=O.
What is the InChIKey of 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]propanamide?
The InChIKey is AJWCHQKEKPIGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7(12(13)17)14-9-3-2-4-10-8(9)5-6-11(16)15-10/h5-7,9,14H,2-4H2,1H3,(H2,13,17)(H,15,16).
What are the key properties of 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]propanamide?
2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]propanamide has a molecular weight of 235.29 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]propanamide is sourced from PubChem (CID 81107696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).