N-(2-chloro-4-fluorophenyl)-7-iodoquinolin-4-amine

C15H9ClFIN2 — CID 44532440

IUPACN-(2-chloro-4-fluorophenyl)-7-iodoquinolin-4-amine
SMILESFc1ccc(Nc2ccnc3cc(I)ccc23)c(Cl)c1
InChIInChI=1S/C15H9ClFIN2/c16-12-7-9(17)1-4-14(12)20-13-5-6-19-15-8-10(18)2-3-11(13)15/h1-8H,(H,19,20)
InChIKeyPZKXLNXRFMKGJL-UHFFFAOYSA-N
MW398.61 g/mol
LogP5.38
Rot. Bonds2

About N-(2-chloro-4-fluorophenyl)-7-iodoquinolin-4-amine

N-(2-chloro-4-fluorophenyl)-7-iodoquinolin-4-amine (PubChem CID 44532440) has the molecular formula C15H9ClFIN2 and a molecular weight of 398.61 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-7-iodoquinolin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-7-iodoquinolin-4-amine
PubChem CID44532440
Molecular FormulaC15H9ClFIN2
Molecular Weight398.61 g/mol
Exact Mass397.95
IUPAC NameN-(2-chloro-4-fluorophenyl)-7-iodoquinolin-4-amine
SMILESFc1ccc(Nc2ccnc3cc(I)ccc23)c(Cl)c1
InChIInChI=1S/C15H9ClFIN2/c16-12-7-9(17)1-4-14(12)20-13-5-6-19-15-8-10(18)2-3-11(13)15/h1-8H,(H,19,20)
InChIKeyPZKXLNXRFMKGJL-UHFFFAOYSA-N
XLogP5.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.61
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-7-fluoroquinolin-4-amine
CID 71468200
N-(2-chloro-4-fluorophenyl)-7-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinolin-4-amine
CID 44532499
4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
CID 54773030
acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine
CID 144507995
7-fluoro-4-iodoquinoline
CID 118066569
4-N-(2,3-dichlorophenyl)quinoline-4,7-diamine
CID 103000343
2-chloro-4-fluoro-N-phenylaniline
CID 86051149
4-[(7-iodoquinolin-4-yl)amino]-3-(methylaminomethyl)-2-propan-2-ylphenol
CID 142403380
2-butyl-4-[(7-iodoquinolin-4-yl)amino]-3-(methylaminomethyl)phenol
CID 142403379
4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine
CID 29080218
N-(2,4-dichlorophenyl)-6-methylsulfanylquinolin-4-amine
CID 123150888
2-ethyl-3-[(2-hydroxyethylamino)methyl]-4-[(7-iodoquinolin-4-yl)amino]phenol
CID 135358994

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-7-iodoquinolin-4-amine?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-7-iodoquinolin-4-amine (CID 44532440) is N-(2-chloro-4-fluorophenyl)-7-iodoquinolin-4-amine.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-7-iodoquinolin-4-amine?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-7-iodoquinolin-4-amine is Fc1ccc(Nc2ccnc3cc(I)ccc23)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-7-iodoquinolin-4-amine?
The InChIKey is PZKXLNXRFMKGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFIN2/c16-12-7-9(17)1-4-14(12)20-13-5-6-19-15-8-10(18)2-3-11(13)15/h1-8H,(H,19,20).
What are the key properties of N-(2-chloro-4-fluorophenyl)-7-iodoquinolin-4-amine?
N-(2-chloro-4-fluorophenyl)-7-iodoquinolin-4-amine has a molecular weight of 398.61 g/mol, XLogP of 5.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-7-iodoquinolin-4-amine is sourced from PubChem (CID 44532440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).