N-ethyl-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide

C15H18N4O4 — CID 142478299

IUPACN-ethyl-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide
SMILESCCNC(=O)C(C)Nc1cc(=O)n(C)c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H18N4O4/c1-4-16-15(21)9(2)17-12-8-14(20)18(3)13-6-5-10(19(22)23)7-11(12)13/h5-9,17H,4H2,1-3H3,(H,16,21)
InChIKeyZSKWVDZYGGCMDZ-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.38
Rot. Bonds5

About N-ethyl-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide

N-ethyl-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide (PubChem CID 142478299) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-ethyl-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide
PubChem CID142478299
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC NameN-ethyl-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide
SMILESCCNC(=O)C(C)Nc1cc(=O)n(C)c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H18N4O4/c1-4-16-15(21)9(2)17-12-8-14(20)18(3)13-6-5-10(19(22)23)7-11(12)13/h5-9,17H,4H2,1-3H3,(H,16,21)
InChIKeyZSKWVDZYGGCMDZ-UHFFFAOYSA-N
XLogP1.38
TPSA106.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(2R)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 135385524
(2R)-N-(4-methoxycyclohexyl)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide
CID 156564875
4-(ethylamino)-1-methyl-6-nitroquinolin-2-one
CID 135385757
N-ethyl-2-(2-methyl-5-nitroanilino)propanamide
CID 55023374
2-(2-amino-4-nitroanilino)-N-ethylpropanamide
CID 62508456
1-methyl-4-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]-6-nitroquinolin-2-one
CID 156564927
1-methyl-4-[(1-methylcyclopropyl)amino]-6-nitroquinolin-2-one
CID 156564878
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)-5-nitrobenzamide
CID 60661259
N-ethyl-2-[[2-(4-nitrophenyl)acetyl]amino]propanamide
CID 47112942
2-(2,6-difluoro-4-nitroanilino)-N-ethylpropanamide
CID 103828384
2-(2-methyl-4-nitroanilino)-N-(2-methylpropyl)propanamide
CID 115573864
2-(5-bromo-2-nitroanilino)-N-ethylpropanamide
CID 65341502

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide?
The IUPAC name of N-ethyl-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide (CID 142478299) is N-ethyl-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide.
What is the SMILES notation for N-ethyl-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide?
The canonical SMILES for N-ethyl-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide is CCNC(=O)C(C)Nc1cc(=O)n(C)c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-ethyl-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide?
The InChIKey is ZSKWVDZYGGCMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-4-16-15(21)9(2)17-12-8-14(20)18(3)13-6-5-10(19(22)23)7-11(12)13/h5-9,17H,4H2,1-3H3,(H,16,21).
What are the key properties of N-ethyl-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide?
N-ethyl-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide has a molecular weight of 318.33 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide is sourced from PubChem (CID 142478299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).