N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide

C17H23N3O3 — CID 54688406

IUPACN-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)NCCN(C)C)c(O)c2ccccc21
InChIInChI=1S/C17H23N3O3/c1-4-10-20-13-8-6-5-7-12(13)15(21)14(17(20)23)16(22)18-9-11-19(2)3/h5-8,21H,4,9-11H2,1-3H3,(H,18,22)
InChIKeyUFUPPBJXPJSNJW-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.41
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide

N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide (PubChem CID 54688406) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
PubChem CID54688406
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)NCCN(C)C)c(O)c2ccccc21
InChIInChI=1S/C17H23N3O3/c1-4-10-20-13-8-6-5-7-12(13)15(21)14(17(20)23)16(22)18-9-11-19(2)3/h5-8,21H,4,9-11H2,1-3H3,(H,18,22)
InChIKeyUFUPPBJXPJSNJW-UHFFFAOYSA-N
XLogP1.41
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride
CID 54736678
4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54706310
N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54702818
diethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium chloride
CID 54750247
2-hydroxyethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium
CID 54697176
3-acetyl-4-hydroxy-1-propylquinolin-2-one
CID 54711259
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 71814744
N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide
CID 54685665
1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
CID 54682638
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54706880
4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54684059
N-(2,6-dimethylphenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54678843

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide (CID 54688406) is N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide is CCCn1c(=O)c(C(=O)NCCN(C)C)c(O)c2ccccc21.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide?
The InChIKey is UFUPPBJXPJSNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-10-20-13-8-6-5-7-12(13)15(21)14(17(20)23)16(22)18-9-11-19(2)3/h5-8,21H,4,9-11H2,1-3H3,(H,18,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide?
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide is sourced from PubChem (CID 54688406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).