N-(3-ethoxypropyl)-7-fluoro-5-nitroquinolin-8-amine

C14H16FN3O3 — CID 83165001

IUPACN-(3-ethoxypropyl)-7-fluoro-5-nitroquinolin-8-amine
SMILESCCOCCCNc1c(F)cc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C14H16FN3O3/c1-2-21-8-4-7-17-14-11(15)9-12(18(19)20)10-5-3-6-16-13(10)14/h3,5-6,9,17H,2,4,7-8H2,1H3
InChIKeyAKMKMWVGAMRROV-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.12
Rot. Bonds7

About N-(3-ethoxypropyl)-7-fluoro-5-nitroquinolin-8-amine

N-(3-ethoxypropyl)-7-fluoro-5-nitroquinolin-8-amine (PubChem CID 83165001) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-7-fluoro-5-nitroquinolin-8-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-7-fluoro-5-nitroquinolin-8-amine
PubChem CID83165001
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC NameN-(3-ethoxypropyl)-7-fluoro-5-nitroquinolin-8-amine
SMILESCCOCCCNc1c(F)cc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C14H16FN3O3/c1-2-21-8-4-7-17-14-11(15)9-12(18(19)20)10-5-3-6-16-13(10)14/h3,5-6,9,17H,2,4,7-8H2,1H3
InChIKeyAKMKMWVGAMRROV-UHFFFAOYSA-N
XLogP3.12
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-7-fluoro-5-nitroquinolin-8-amine
CID 83165198
N'-(7-fluoro-5-nitroquinolin-8-yl)propane-1,3-diamine
CID 83164489
4-[(7-fluoro-5-nitroquinolin-8-yl)amino]butanamide
CID 83165202
7-fluoro-N-(2-methylpentan-3-yl)-5-nitroquinolin-8-amine
CID 83165391
7-fluoro-N-(2-methylbut-3-yn-2-yl)-5-nitroquinolin-8-amine
CID 83163974
3-(7-fluoro-5-nitroquinolin-8-yl)oxypropan-1-amine
CID 83166049
3-[[(7-fluoro-5-nitroquinolin-8-yl)amino]methyl]cyclobutan-1-ol
CID 83164841
N-but-3-yn-2-yl-7-fluoro-5-nitroquinolin-8-amine
CID 114418109
N-(3-methoxypropyl)-8-nitroquinolin-5-amine
CID 43386307
N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
5-fluoro-8-methoxy-7-nitroquinoline
CID 166150140
N-cyclohex-3-en-1-yl-7-fluoro-5-nitroquinolin-8-amine
CID 83164838

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-7-fluoro-5-nitroquinolin-8-amine?
The IUPAC name of N-(3-ethoxypropyl)-7-fluoro-5-nitroquinolin-8-amine (CID 83165001) is N-(3-ethoxypropyl)-7-fluoro-5-nitroquinolin-8-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-7-fluoro-5-nitroquinolin-8-amine?
The canonical SMILES for N-(3-ethoxypropyl)-7-fluoro-5-nitroquinolin-8-amine is CCOCCCNc1c(F)cc([N+](=O)[O-])c2cccnc12.
What is the InChIKey of N-(3-ethoxypropyl)-7-fluoro-5-nitroquinolin-8-amine?
The InChIKey is AKMKMWVGAMRROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3/c1-2-21-8-4-7-17-14-11(15)9-12(18(19)20)10-5-3-6-16-13(10)14/h3,5-6,9,17H,2,4,7-8H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-7-fluoro-5-nitroquinolin-8-amine?
N-(3-ethoxypropyl)-7-fluoro-5-nitroquinolin-8-amine has a molecular weight of 293.30 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-7-fluoro-5-nitroquinolin-8-amine is sourced from PubChem (CID 83165001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).