acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine

C17H13ClF2N2O — CID 144507995

IUPACacetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine
SMILESCC(=O)F.Fc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C15H10ClFN2.C2H3FO/c16-10-1-6-13-14(7-8-18-15(13)9-10)19-12-4-2-11(17)3-5-12;1-2(3)4/h1-9H,(H,18,19);1H3
InChIKeyGFGULOWRQVSBQF-UHFFFAOYSA-N
MW334.75 g/mol
LogP5.27
Rot. Bonds2

About acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine

acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine (PubChem CID 144507995) has the molecular formula C17H13ClF2N2O and a molecular weight of 334.75 g/mol. Its IUPAC name is acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine.

Molecular Properties

Compound Nameacetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine
PubChem CID144507995
Molecular FormulaC17H13ClF2N2O
Molecular Weight334.75 g/mol
Exact Mass334.07
IUPAC Nameacetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine
SMILESCC(=O)F.Fc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C15H10ClFN2.C2H3FO/c16-10-1-6-13-14(7-8-18-15(13)9-10)19-12-4-2-11(17)3-5-12;1-2(3)4/h1-9H,(H,18,19);1H3
InChIKeyGFGULOWRQVSBQF-UHFFFAOYSA-N
XLogP5.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.75
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-7-fluoroquinolin-4-amine
CID 71468200
4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
CID 24757093
4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
CID 54773030
7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride
CID 171931176
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
CID 153341767
2-amino-3-[4-[(7-chloroquinolin-4-yl)amino]phenyl]propanoic acid
CID 67359465
2-[(tert-butylamino)methyl]-5-[(7-chloroquinolin-4-yl)amino]phenol;dihydrochloride
CID 51071988
2-(dimethylamino)ethyl 2-[(7-chloroquinolin-4-yl)amino]-5-fluorobenzoate
CID 23331684
2-(diethylamino)ethyl 4-[(7-chloroquinolin-4-yl)amino]benzoate
CID 54005492
3-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-1-(2,4-dichlorophenyl)prop-2-en-1-one
CID 69174723
2,3-dihydroxypropyl 4-[(7-chloroquinolin-4-yl)amino]benzoate
CID 13019126
4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol
CID 629366

Frequently Asked Questions

What is the IUPAC name of acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine?
The IUPAC name of acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine (CID 144507995) is acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine.
What is the SMILES notation for acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine?
The canonical SMILES for acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine is CC(=O)F.Fc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1.
What is the InChIKey of acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine?
The InChIKey is GFGULOWRQVSBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2.C2H3FO/c16-10-1-6-13-14(7-8-18-15(13)9-10)19-12-4-2-11(17)3-5-12;1-2(3)4/h1-9H,(H,18,19);1H3.
What are the key properties of acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine?
acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine has a molecular weight of 334.75 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine is sourced from PubChem (CID 144507995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).