5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide

C17H23N3O2 — CID 82212557

IUPAC5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCCC(C)C)c(=O)c2c(N)cccc21
InChIInChI=1S/C17H23N3O2/c1-4-20-10-12(17(22)19-9-8-11(2)3)16(21)15-13(18)6-5-7-14(15)20/h5-7,10-11H,4,8-9,18H2,1-3H3,(H,19,22)
InChIKeyAFZIFWANZMCSJL-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.38
Rot. Bonds5

About 5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide

5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide (PubChem CID 82212557) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide
PubChem CID82212557
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCCC(C)C)c(=O)c2c(N)cccc21
InChIInChI=1S/C17H23N3O2/c1-4-20-10-12(17(22)19-9-8-11(2)3)16(21)15-13(18)6-5-7-14(15)20/h5-7,10-11H,4,8-9,18H2,1-3H3,(H,19,22)
InChIKeyAFZIFWANZMCSJL-UHFFFAOYSA-N
XLogP2.38
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N,1-diethyl-4-oxoquinoline-3-carboxamide
CID 82212545
5-amino-N-cyclohexyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 94947005
5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 94947111
2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid
CID 82212467
5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide
CID 82212638
5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide
CID 82212481
5-amino-N-ethyl-1-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide
CID 82212450
5-amino-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxamide
CID 94947357
5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide
CID 94947045
5-amino-N-(furan-2-ylmethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide
CID 82212516
5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide
CID 82212580
5-amino-1-(2-methoxyethyl)-4-oxo-N-prop-2-enylquinoline-3-carboxamide
CID 82212612

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide?
The IUPAC name of 5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide (CID 82212557) is 5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)NCCC(C)C)c(=O)c2c(N)cccc21.
What is the InChIKey of 5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide?
The InChIKey is AFZIFWANZMCSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-20-10-12(17(22)19-9-8-11(2)3)16(21)15-13(18)6-5-7-14(15)20/h5-7,10-11H,4,8-9,18H2,1-3H3,(H,19,22).
What are the key properties of 5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide?
5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 82212557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).