N-butan-2-yl-3-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide

C17H23N3O2 — CID 119136138

IUPACN-butan-2-yl-3-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide
SMILESCCC(C)NC(=O)CCNCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C17H23N3O2/c1-3-12(2)19-16(21)8-9-18-11-14-10-13-6-4-5-7-15(13)20-17(14)22/h4-7,10,12,18H,3,8-9,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXGLULMJJXNSDED-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.92
Rot. Bonds7

About N-butan-2-yl-3-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide

N-butan-2-yl-3-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide (PubChem CID 119136138) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-butan-2-yl-3-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide
PubChem CID119136138
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-butan-2-yl-3-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide
SMILESCCC(C)NC(=O)CCNCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C17H23N3O2/c1-3-12(2)19-16(21)8-9-18-11-14-10-13-6-4-5-7-15(13)20-17(14)22/h4-7,10,12,18H,3,8-9,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXGLULMJJXNSDED-UHFFFAOYSA-N
XLogP1.92
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide (CID 119136138) is N-butan-2-yl-3-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide is CCC(C)NC(=O)CCNCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-butan-2-yl-3-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide?
The InChIKey is XGLULMJJXNSDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-12(2)19-16(21)8-9-18-11-14-10-13-6-4-5-7-15(13)20-17(14)22/h4-7,10,12,18H,3,8-9,11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-butan-2-yl-3-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide?
N-butan-2-yl-3-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide has a molecular weight of 301.39 g/mol, XLogP of 1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide is sourced from PubChem (CID 119136138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).