(5-nitroquinolin-8-yl) N,N-diethylcarbamate

C14H15N3O4 — CID 175460748

IUPAC(5-nitroquinolin-8-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C14H15N3O4/c1-3-16(4-2)14(18)21-12-8-7-11(17(19)20)10-6-5-9-15-13(10)12/h5-9H,3-4H2,1-2H3
InChIKeyHUIRMAICMQPSGT-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.98
Rot. Bonds4

About (5-nitroquinolin-8-yl) N,N-diethylcarbamate

(5-nitroquinolin-8-yl) N,N-diethylcarbamate (PubChem CID 175460748) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is (5-nitroquinolin-8-yl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(5-nitroquinolin-8-yl) N,N-diethylcarbamate
PubChem CID175460748
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name(5-nitroquinolin-8-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C14H15N3O4/c1-3-16(4-2)14(18)21-12-8-7-11(17(19)20)10-6-5-9-15-13(10)12/h5-9H,3-4H2,1-2H3
InChIKeyHUIRMAICMQPSGT-UHFFFAOYSA-N
XLogP2.98
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.98
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

2-[methyl-(5-nitroquinolin-8-yl)oxycarbonylamino]acetic acid
CID 146455566
(5-chloroquinolin-8-yl) N,N-diethylcarbamate
CID 712597
(5-nitroquinolin-8-yl) 2-methylprop-2-enoate
CID 19748562
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294
1-O-methyl 6-O-[(5-nitroquinolin-8-yl)oxymethyl] hexanedioate
CID 149115733
ethyl 3-(5-nitroquinolin-8-yl)oxypropanoate
CID 60865673
N-[2-(5-nitroquinolin-8-yl)oxyethyl]propan-1-amine
CID 60863686
N,N-diethyl-5-nitroquinolin-8-amine
CID 2843950
N,N-dibenzyl-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23738451
tris[(5-nitroquinolin-8-yl)oxymethyl] phosphate
CID 166679929
2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide
CID 23935853
8-(2-chloroethoxy)-5-nitroquinoline
CID 60863321

Frequently Asked Questions

What is the IUPAC name of (5-nitroquinolin-8-yl) N,N-diethylcarbamate?
The IUPAC name of (5-nitroquinolin-8-yl) N,N-diethylcarbamate (CID 175460748) is (5-nitroquinolin-8-yl) N,N-diethylcarbamate.
What is the SMILES notation for (5-nitroquinolin-8-yl) N,N-diethylcarbamate?
The canonical SMILES for (5-nitroquinolin-8-yl) N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12.
What is the InChIKey of (5-nitroquinolin-8-yl) N,N-diethylcarbamate?
The InChIKey is HUIRMAICMQPSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-3-16(4-2)14(18)21-12-8-7-11(17(19)20)10-6-5-9-15-13(10)12/h5-9H,3-4H2,1-2H3.
What are the key properties of (5-nitroquinolin-8-yl) N,N-diethylcarbamate?
(5-nitroquinolin-8-yl) N,N-diethylcarbamate has a molecular weight of 289.29 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitroquinolin-8-yl) N,N-diethylcarbamate is sourced from PubChem (CID 175460748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).