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

C17H23N5O2 — CID 82212559

IUPAC5-amino-1-ethyl-N-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NN2CCN(C)CC2)c(=O)c2c(N)cccc21
InChIInChI=1S/C17H23N5O2/c1-3-21-11-12(16(23)15-13(18)5-4-6-14(15)21)17(24)19-22-9-7-20(2)8-10-22/h4-6,11H,3,7-10,18H2,1-2H3,(H,19,24)
InChIKeyPTFSQVBAVUDTPX-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.50
Rot. Bonds3

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

5-amino-1-ethyl-N-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide (PubChem CID 82212559) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-amino-1-ethyl-N-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name5-amino-1-ethyl-N-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide
PubChem CID82212559
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name5-amino-1-ethyl-N-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NN2CCN(C)CC2)c(=O)c2c(N)cccc21
InChIInChI=1S/C17H23N5O2/c1-3-21-11-12(16(23)15-13(18)5-4-6-14(15)21)17(24)19-22-9-7-20(2)8-10-22/h4-6,11H,3,7-10,18H2,1-2H3,(H,19,24)
InChIKeyPTFSQVBAVUDTPX-UHFFFAOYSA-N
XLogP0.50
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide
CID 82212557
5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide
CID 82212481
5-amino-1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxamide
CID 94947357
2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid
CID 82212467
3-amino-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 83013438
5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212672
5-amino-N-ethyl-1-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide
CID 82212450
5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 94947111
5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide
CID 94947045
5-amino-N-cyclopentyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 82212613

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-N-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide?
The IUPAC name of 5-amino-1-ethyl-N-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide (CID 82212559) is 5-amino-1-ethyl-N-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 5-amino-1-ethyl-N-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 5-amino-1-ethyl-N-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)NN2CCN(C)CC2)c(=O)c2c(N)cccc21.
What is the InChIKey of 5-amino-1-ethyl-N-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide?
The InChIKey is PTFSQVBAVUDTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-21-11-12(16(23)15-13(18)5-4-6-14(15)21)17(24)19-22-9-7-20(2)8-10-22/h4-6,11H,3,7-10,18H2,1-2H3,(H,19,24).
What are the key properties of 5-amino-1-ethyl-N-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide?
5-amino-1-ethyl-N-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-N-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 82212559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).