N-(3-fluoro-5-nitrophenyl)quinolin-6-amine

C15H10FN3O2 — CID 80751767

IUPACN-(3-fluoro-5-nitrophenyl)quinolin-6-amine
SMILESO=[N+]([O-])c1cc(F)cc(Nc2ccc3ncccc3c2)c1
InChIInChI=1S/C15H10FN3O2/c16-11-7-13(9-14(8-11)19(20)21)18-12-3-4-15-10(6-12)2-1-5-17-15/h1-9,18H
InChIKeyUGMVDSUIBPWJIU-UHFFFAOYSA-N
MW283.26 g/mol
LogP4.03
Rot. Bonds3

About N-(3-fluoro-5-nitrophenyl)quinolin-6-amine

N-(3-fluoro-5-nitrophenyl)quinolin-6-amine (PubChem CID 80751767) has the molecular formula C15H10FN3O2 and a molecular weight of 283.26 g/mol. Its IUPAC name is N-(3-fluoro-5-nitrophenyl)quinolin-6-amine.

Molecular Properties

Compound NameN-(3-fluoro-5-nitrophenyl)quinolin-6-amine
PubChem CID80751767
Molecular FormulaC15H10FN3O2
Molecular Weight283.26 g/mol
Exact Mass283.08
IUPAC NameN-(3-fluoro-5-nitrophenyl)quinolin-6-amine
SMILESO=[N+]([O-])c1cc(F)cc(Nc2ccc3ncccc3c2)c1
InChIInChI=1S/C15H10FN3O2/c16-11-7-13(9-14(8-11)19(20)21)18-12-3-4-15-10(6-12)2-1-5-17-15/h1-9,18H
InChIKeyUGMVDSUIBPWJIU-UHFFFAOYSA-N
XLogP4.03
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-fluoro-N-(4-fluorophenyl)-5-nitroaniline
CID 80752071
4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylaniline
CID 80751738
N-(3-fluoro-5-nitrophenyl)naphthalen-1-amine
CID 80753070
N-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline
CID 107368860
4-nitro-N-[(E)-quinolin-6-ylmethylideneamino]aniline
CID 51682498
3,5-dichloro-4-fluoro-N-(3-fluoro-5-nitrophenyl)aniline
CID 107576838
2-chloro-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 107334861
3-fluoro-5-nitro-N-(1-pyridin-2-ylethyl)aniline
CID 60875745
1-[4-(quinolin-6-ylamino)phenyl]ethanone
CID 82536653
8-bromo-6-nitroquinoline;6-nitroquinoline
CID 159832810
N-(3,5-dimethoxyphenyl)-3-fluoro-5-nitroaniline
CID 80752662
5-nitro-N-quinolin-6-yl-1-benzofuran-2-carboxamide
CID 936671

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-nitrophenyl)quinolin-6-amine?
The IUPAC name of N-(3-fluoro-5-nitrophenyl)quinolin-6-amine (CID 80751767) is N-(3-fluoro-5-nitrophenyl)quinolin-6-amine.
What is the SMILES notation for N-(3-fluoro-5-nitrophenyl)quinolin-6-amine?
The canonical SMILES for N-(3-fluoro-5-nitrophenyl)quinolin-6-amine is O=[N+]([O-])c1cc(F)cc(Nc2ccc3ncccc3c2)c1.
What is the InChIKey of N-(3-fluoro-5-nitrophenyl)quinolin-6-amine?
The InChIKey is UGMVDSUIBPWJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2/c16-11-7-13(9-14(8-11)19(20)21)18-12-3-4-15-10(6-12)2-1-5-17-15/h1-9,18H.
What are the key properties of N-(3-fluoro-5-nitrophenyl)quinolin-6-amine?
N-(3-fluoro-5-nitrophenyl)quinolin-6-amine has a molecular weight of 283.26 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-nitrophenyl)quinolin-6-amine is sourced from PubChem (CID 80751767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).