5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide

C15H20N4O2 — CID 82212672

IUPAC5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide
SMILESCNC(=O)c1cn(CCN(C)C)c2cccc(N)c2c1=O
InChIInChI=1S/C15H20N4O2/c1-17-15(21)10-9-19(8-7-18(2)3)12-6-4-5-11(16)13(12)14(10)20/h4-6,9H,7-8,16H2,1-3H3,(H,17,21)
InChIKeyNLPADTREMMTCDI-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.50
Rot. Bonds4

About 5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide

5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 82212672) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide
PubChem CID82212672
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide
SMILESCNC(=O)c1cn(CCN(C)C)c2cccc(N)c2c1=O
InChIInChI=1S/C15H20N4O2/c1-17-15(21)10-9-19(8-7-18(2)3)12-6-4-5-11(16)13(12)14(10)20/h4-6,9H,7-8,16H2,1-3H3,(H,17,21)
InChIKeyNLPADTREMMTCDI-UHFFFAOYSA-N
XLogP0.50
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide
CID 82212481
5-amino-1-[3-(dimethylamino)propyl]-N,N-dimethyl-4-oxoquinoline-3-carboxamide
CID 94947311
2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid
CID 82212467
5-amino-N,1-diethyl-4-oxoquinoline-3-carboxamide
CID 82212545
5-amino-1-cyclopentyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212585
5-amino-1-(2-methoxyethyl)-4-oxo-N-prop-2-enylquinoline-3-carboxamide
CID 82212612
5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide
CID 94947045
5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212696
5-amino-N-ethyl-1-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide
CID 82212450
5-amino-N-cyclopentyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 82212613
5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 94947111
5-amino-N-cyclohexyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 94947005

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide (CID 82212672) is 5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide is CNC(=O)c1cn(CCN(C)C)c2cccc(N)c2c1=O.
What is the InChIKey of 5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is NLPADTREMMTCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-17-15(21)10-9-19(8-7-18(2)3)12-6-4-5-11(16)13(12)14(10)20/h4-6,9H,7-8,16H2,1-3H3,(H,17,21).
What are the key properties of 5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide?
5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 82212672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).