N-[(2R)-2-(ethylamino)propyl]-6-nitro-2-oxo-1H-quinoline-4-carboxamide

C15H18N4O4 — CID 120651419

IUPACN-[(2R)-2-(ethylamino)propyl]-6-nitro-2-oxo-1H-quinoline-4-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H18N4O4/c1-3-16-9(2)8-17-15(21)12-7-14(20)18-13-5-4-10(19(22)23)6-11(12)13/h4-7,9,16H,3,8H2,1-2H3,(H,17,21)(H,18,20)/t9-/m1/s1
InChIKeyKSOILKSLQWXUEY-SECBINFHSA-N
MW318.33 g/mol
LogP1.16
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-6-nitro-2-oxo-1H-quinoline-4-carboxamide

N-[(2R)-2-(ethylamino)propyl]-6-nitro-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 120651419) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-6-nitro-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-6-nitro-2-oxo-1H-quinoline-4-carboxamide
PubChem CID120651419
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-6-nitro-2-oxo-1H-quinoline-4-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H18N4O4/c1-3-16-9(2)8-17-15(21)12-7-14(20)18-13-5-4-10(19(22)23)6-11(12)13/h4-7,9,16H,3,8H2,1-2H3,(H,17,21)(H,18,20)/t9-/m1/s1
InChIKeyKSOILKSLQWXUEY-SECBINFHSA-N
XLogP1.16
TPSA117.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(2R)-2-(ethylamino)propyl]-4-nitrobenzamide
CID 120650159
5-[(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid
CID 119235210
6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 120829777
3-[2-methylpropyl-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid
CID 119190683
6-bromo-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 120828627
N-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide
CID 120650717
N-(3-amino-4-methylpentyl)-N-methyl-6-nitro-2-oxo-1H-quinoline-4-carboxamide
CID 119660307
2-[cyclopropyl-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid
CID 119203411
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-nitro-2-oxo-1H-quinoline-4-carboxamide
CID 86968318
6-fluoro-N-[1-(3-nitrophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 146132552
N-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide
CID 120650317
N-ethyl-6-nitro-2-oxo-N-[[(3R)-oxolan-3-yl]methyl]-1H-quinoline-4-carboxamide
CID 95619761

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-6-nitro-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-6-nitro-2-oxo-1H-quinoline-4-carboxamide (CID 120651419) is N-[(2R)-2-(ethylamino)propyl]-6-nitro-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-6-nitro-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-6-nitro-2-oxo-1H-quinoline-4-carboxamide is CCN[C@H](C)CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-6-nitro-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is KSOILKSLQWXUEY-SECBINFHSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-3-16-9(2)8-17-15(21)12-7-14(20)18-13-5-4-10(19(22)23)6-11(12)13/h4-7,9,16H,3,8H2,1-2H3,(H,17,21)(H,18,20)/t9-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-6-nitro-2-oxo-1H-quinoline-4-carboxamide?
N-[(2R)-2-(ethylamino)propyl]-6-nitro-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-6-nitro-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 120651419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).