5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide

C17H23N3O3 — CID 94947111

IUPAC5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
SMILESCCCCNC(=O)c1cn(CCOC)c2cccc(N)c2c1=O
InChIInChI=1S/C17H23N3O3/c1-3-4-8-19-17(22)12-11-20(9-10-23-2)14-7-5-6-13(18)15(14)16(12)21/h5-7,11H,3-4,8-10,18H2,1-2H3,(H,19,22)
InChIKeyXWGJTQDXNXIWMA-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.76
Rot. Bonds7

About 5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide

5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide (PubChem CID 94947111) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
PubChem CID94947111
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
SMILESCCCCNC(=O)c1cn(CCOC)c2cccc(N)c2c1=O
InChIInChI=1S/C17H23N3O3/c1-3-4-8-19-17(22)12-11-20(9-10-23-2)14-7-5-6-13(18)15(14)16(12)21/h5-7,11H,3-4,8-10,18H2,1-2H3,(H,19,22)
InChIKeyXWGJTQDXNXIWMA-UHFFFAOYSA-N
XLogP1.76
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-ethyl-1-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide
CID 82212450
5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide
CID 82212638
5-amino-1-(2-methoxyethyl)-4-oxo-N-prop-2-enylquinoline-3-carboxamide
CID 82212612
5-amino-N-cyclopentyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 82212613
5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide
CID 94947045
2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid
CID 82212467
5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide
CID 82212481
5-amino-N,1-diethyl-4-oxoquinoline-3-carboxamide
CID 82212545
5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide
CID 82212557
5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212672
5-amino-4-oxo-1-(3-propan-2-yloxypropyl)quinoline-3-carboxylic acid
CID 82212891
5-amino-1-[3-(dimethylamino)propyl]-N,N-dimethyl-4-oxoquinoline-3-carboxamide
CID 94947311

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide?
The IUPAC name of 5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide (CID 94947111) is 5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide is CCCCNC(=O)c1cn(CCOC)c2cccc(N)c2c1=O.
What is the InChIKey of 5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide?
The InChIKey is XWGJTQDXNXIWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-4-8-19-17(22)12-11-20(9-10-23-2)14-7-5-6-13(18)15(14)16(12)21/h5-7,11H,3-4,8-10,18H2,1-2H3,(H,19,22).
What are the key properties of 5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide?
5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 94947111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).