2-amino-3-(4-nitrophenyl)-N-quinolin-3-ylpropanamide

C18H16N4O3 — CID 129109134

IUPAC2-amino-3-(4-nitrophenyl)-N-quinolin-3-ylpropanamide
SMILESNC(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C18H16N4O3/c19-16(9-12-5-7-15(8-6-12)22(24)25)18(23)21-14-10-13-3-1-2-4-17(13)20-11-14/h1-8,10-11,16H,9,19H2,(H,21,23)
InChIKeyXNTISVYSJILREQ-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.65
Rot. Bonds5

About 2-amino-3-(4-nitrophenyl)-N-quinolin-3-ylpropanamide

2-amino-3-(4-nitrophenyl)-N-quinolin-3-ylpropanamide (PubChem CID 129109134) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-amino-3-(4-nitrophenyl)-N-quinolin-3-ylpropanamide.

Molecular Properties

Compound Name2-amino-3-(4-nitrophenyl)-N-quinolin-3-ylpropanamide
PubChem CID129109134
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name2-amino-3-(4-nitrophenyl)-N-quinolin-3-ylpropanamide
SMILESNC(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C18H16N4O3/c19-16(9-12-5-7-15(8-6-12)22(24)25)18(23)21-14-10-13-3-1-2-4-17(13)20-11-14/h1-8,10-11,16H,9,19H2,(H,21,23)
InChIKeyXNTISVYSJILREQ-UHFFFAOYSA-N
XLogP2.65
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
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

(2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-nitrophenyl)propanamide
CID 22847699
(E)-3-(4-nitrophenyl)-N-quinolin-3-ylprop-2-enamide
CID 5372765
2-amino-2-phenyl-N-quinolin-3-ylacetamide
CID 43704715
(2S)-5-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]-methylamino]-N-quinolin-3-ylpentanamide
CID 10002169
2-amino-N-(3-fluorophenyl)-3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propanamide
CID 70302129
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
2-chloro-N-quinolin-3-ylpropanamide
CID 43346759
(2S)-2-(methylamino)-N-quinolin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 59868559
(2S)-2,4,6-triamino-4-(2-aminoethyl)-N-[(2R)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hexanamide
CID 46223454
2,5-diamino-4-(aminomethyl)-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanamide
CID 46221891
(2R)-2-amino-N-(2-aminoethyl)-3-(4-nitrophenyl)propanamide
CID 129361681
2-(4-acetamidophenyl)-N-quinolin-3-ylacetamide
CID 18146526

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-nitrophenyl)-N-quinolin-3-ylpropanamide?
The IUPAC name of 2-amino-3-(4-nitrophenyl)-N-quinolin-3-ylpropanamide (CID 129109134) is 2-amino-3-(4-nitrophenyl)-N-quinolin-3-ylpropanamide.
What is the SMILES notation for 2-amino-3-(4-nitrophenyl)-N-quinolin-3-ylpropanamide?
The canonical SMILES for 2-amino-3-(4-nitrophenyl)-N-quinolin-3-ylpropanamide is NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of 2-amino-3-(4-nitrophenyl)-N-quinolin-3-ylpropanamide?
The InChIKey is XNTISVYSJILREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c19-16(9-12-5-7-15(8-6-12)22(24)25)18(23)21-14-10-13-3-1-2-4-17(13)20-11-14/h1-8,10-11,16H,9,19H2,(H,21,23).
What are the key properties of 2-amino-3-(4-nitrophenyl)-N-quinolin-3-ylpropanamide?
2-amino-3-(4-nitrophenyl)-N-quinolin-3-ylpropanamide has a molecular weight of 336.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-nitrophenyl)-N-quinolin-3-ylpropanamide is sourced from PubChem (CID 129109134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).