N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinolin-4-amine

C22H15ClFIN2O — CID 141326187

IUPACN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinolin-4-amine
SMILESFc1cccc(COc2ccc(Nc3ccnc4ccc(I)cc34)cc2Cl)c1
InChIInChI=1S/C22H15ClFIN2O/c23-19-12-17(5-7-22(19)28-13-14-2-1-3-15(24)10-14)27-21-8-9-26-20-6-4-16(25)11-18(20)21/h1-12H,13H2,(H,26,27)
InChIKeyRSQPPBQCXJBKFK-UHFFFAOYSA-N
MW504.73 g/mol
LogP6.95
Rot. Bonds5

About N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinolin-4-amine

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinolin-4-amine (PubChem CID 141326187) has the molecular formula C22H15ClFIN2O and a molecular weight of 504.73 g/mol. Its IUPAC name is N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinolin-4-amine.

Molecular Properties

Compound NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinolin-4-amine
PubChem CID141326187
Molecular FormulaC22H15ClFIN2O
Molecular Weight504.73 g/mol
Exact Mass503.99
IUPAC NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinolin-4-amine
SMILESFc1cccc(COc2ccc(Nc3ccnc4ccc(I)cc34)cc2Cl)c1
InChIInChI=1S/C22H15ClFIN2O/c23-19-12-17(5-7-22(19)28-13-14-2-1-3-15(24)10-14)27-21-8-9-26-20-6-4-16(25)11-18(20)21/h1-12H,13H2,(H,26,27)
InChIKeyRSQPPBQCXJBKFK-UHFFFAOYSA-N
XLogP6.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.73
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-N-(4-ethoxyphenyl)-4-quinolinamine
CID 711950
N-[3-chloro-4-(naphthalen-2-yloxy)phenyl]-6-methoxy-2-methylquinolin-4-amine
CID 1714988
6-chloro-2-methoxy-N-(3-pyridyl)acridin-9-amine
CID 408350
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine
CID 23727980
7-Chloro-4-(2-(4-(3-piperidinopropoxy)phenyl)ethylamino)quinoline
CID 10873565
7-Chloro-4-(4-(3-piperidinopropoxy)phenylamino)quinoline
CID 10916261
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine
CID 23275458
N-(4-(3-(piperidin-1-yl)propoxy)phenyl)quinolin-4-amine
CID 10067161
N-(7-chloroquinolin-4-yl)-N'-[(5-fluoro-2-methoxyphenyl)methyl]-N'-propylpropane-1,3-diamine
CID 11846804
N-(7-chloroquinolin-4-yl)-N'-[(2-fluoro-6-methoxyphenyl)methyl]-N'-propylpropane-1,3-diamine
CID 11847274
4-[3-Chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-ol
CID 24737707
4-Quinazolinamine, N-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-6-iodo-
CID 44532707

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinolin-4-amine?
The IUPAC name of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinolin-4-amine (CID 141326187) is N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinolin-4-amine.
What is the SMILES notation for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinolin-4-amine?
The canonical SMILES for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinolin-4-amine is Fc1cccc(COc2ccc(Nc3ccnc4ccc(I)cc34)cc2Cl)c1.
What is the InChIKey of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinolin-4-amine?
The InChIKey is RSQPPBQCXJBKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFIN2O/c23-19-12-17(5-7-22(19)28-13-14-2-1-3-15(24)10-14)27-21-8-9-26-20-6-4-16(25)11-18(20)21/h1-12H,13H2,(H,26,27).
What are the key properties of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinolin-4-amine?
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinolin-4-amine has a molecular weight of 504.73 g/mol, XLogP of 6.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinolin-4-amine is sourced from PubChem (CID 141326187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).