(6-nitro-2-phenylquinolin-4-yl) N,N-diethylcarbamate

C20H19N3O4 — CID 21283644

IUPAC(6-nitro-2-phenylquinolin-4-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cc(-c2ccccc2)nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C20H19N3O4/c1-3-22(4-2)20(24)27-19-13-18(14-8-6-5-7-9-14)21-17-11-10-15(23(25)26)12-16(17)19/h5-13H,3-4H2,1-2H3
InChIKeyZAKUHEUHFMXMAE-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.65
Rot. Bonds5

About (6-nitro-2-phenylquinolin-4-yl) N,N-diethylcarbamate

(6-nitro-2-phenylquinolin-4-yl) N,N-diethylcarbamate (PubChem CID 21283644) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (6-nitro-2-phenylquinolin-4-yl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(6-nitro-2-phenylquinolin-4-yl) N,N-diethylcarbamate
PubChem CID21283644
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(6-nitro-2-phenylquinolin-4-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cc(-c2ccccc2)nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C20H19N3O4/c1-3-22(4-2)20(24)27-19-13-18(14-8-6-5-7-9-14)21-17-11-10-15(23(25)26)12-16(17)19/h5-13H,3-4H2,1-2H3
InChIKeyZAKUHEUHFMXMAE-UHFFFAOYSA-N
XLogP4.65
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
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

methyl 2-[2-(4-methylphenyl)-6-nitroquinolin-4-yl]oxyacetate
CID 46507429
2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline
CID 632059
6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline
CID 10650785
3-[(6-nitro-4-phenylquinazolin-2-yl)amino]propanoic acid
CID 6426193
N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 5219745
4-methoxy-6-nitroquinoline-2-carboxylic acid
CID 676850
2-methyl-6-nitro-4-phenylquinazoline
CID 4662097
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-nitrophenyl)-4-phenylquinoline-6-carboxylate
CID 126024991
(3R)-3-[(6-nitro-4-phenylquinazolin-2-yl)amino]-3-phenylpropanoate
CID 2056663
2-(2-fluoro-4-methoxyphenyl)-6-nitro-4-phenylquinoline
CID 4879276
(3S)-3-[(6-nitro-4-phenylquinazolin-2-yl)amino]-3-phenylpropanoic acid
CID 1420256
N'-(4-nitrobenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 3126530

Frequently Asked Questions

What is the IUPAC name of (6-nitro-2-phenylquinolin-4-yl) N,N-diethylcarbamate?
The IUPAC name of (6-nitro-2-phenylquinolin-4-yl) N,N-diethylcarbamate (CID 21283644) is (6-nitro-2-phenylquinolin-4-yl) N,N-diethylcarbamate.
What is the SMILES notation for (6-nitro-2-phenylquinolin-4-yl) N,N-diethylcarbamate?
The canonical SMILES for (6-nitro-2-phenylquinolin-4-yl) N,N-diethylcarbamate is CCN(CC)C(=O)Oc1cc(-c2ccccc2)nc2ccc([N+](=O)[O-])cc12.
What is the InChIKey of (6-nitro-2-phenylquinolin-4-yl) N,N-diethylcarbamate?
The InChIKey is ZAKUHEUHFMXMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-3-22(4-2)20(24)27-19-13-18(14-8-6-5-7-9-14)21-17-11-10-15(23(25)26)12-16(17)19/h5-13H,3-4H2,1-2H3.
What are the key properties of (6-nitro-2-phenylquinolin-4-yl) N,N-diethylcarbamate?
(6-nitro-2-phenylquinolin-4-yl) N,N-diethylcarbamate has a molecular weight of 365.39 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-nitro-2-phenylquinolin-4-yl) N,N-diethylcarbamate is sourced from PubChem (CID 21283644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).