N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)quinolin-4-amine

C22H16ClFN2O — CID 11717826

IUPACN-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)quinolin-4-amine
SMILESCOc1ccc(Nc2cc(-c3ccc(F)cc3)nc3ccccc23)cc1Cl
InChIInChI=1S/C22H16ClFN2O/c1-27-22-11-10-16(12-18(22)23)25-21-13-20(14-6-8-15(24)9-7-14)26-19-5-3-2-4-17(19)21/h2-13H,1H3,(H,25,26)
InChIKeyJZOZNDXAXSNCJQ-UHFFFAOYSA-N
MW378.83 g/mol
LogP6.45
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)quinolin-4-amine

N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)quinolin-4-amine (PubChem CID 11717826) has the molecular formula C22H16ClFN2O and a molecular weight of 378.83 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)quinolin-4-amine
PubChem CID11717826
Molecular FormulaC22H16ClFN2O
Molecular Weight378.83 g/mol
Exact Mass378.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)quinolin-4-amine
SMILESCOc1ccc(Nc2cc(-c3ccc(F)cc3)nc3ccccc23)cc1Cl
InChIInChI=1S/C22H16ClFN2O/c1-27-22-11-10-16(12-18(22)23)25-21-13-20(14-6-8-15(24)9-7-14)26-19-5-3-2-4-17(19)21/h2-13H,1H3,(H,25,26)
InChIKeyJZOZNDXAXSNCJQ-UHFFFAOYSA-N
XLogP6.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.83
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-fluorophenyl)quinolin-4-yl]amino]phenol
CID 10882081
N,2-bis(4-methoxyphenyl)quinolin-4-amine
CID 10981160
4-chloro-2-(3-chloro-4-methoxyphenyl)quinoline
CID 18432969
2-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine
CID 121284743
2-(3-chloro-4-methoxyanilino)-3H-quinazolin-4-one
CID 135713751
N-(3-chloro-4-methoxyphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 798258
8-methoxy-N,2-diphenylquinolin-4-amine
CID 91032667
N-(3-chloro-4-methoxyphenyl)-6-methoxy-2-methylquinolin-4-amine
CID 798244
methyl 4-(4-fluoroanilino)quinoline-2-carboxylate
CID 53113237
4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 166194851
2-(2-chloro-5-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine
CID 70660103
N-(4-bromophenyl)-2-phenylquinolin-4-amine;hydrochloride
CID 139593880

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)quinolin-4-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)quinolin-4-amine (CID 11717826) is N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)quinolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)quinolin-4-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)quinolin-4-amine is COc1ccc(Nc2cc(-c3ccc(F)cc3)nc3ccccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)quinolin-4-amine?
The InChIKey is JZOZNDXAXSNCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O/c1-27-22-11-10-16(12-18(22)23)25-21-13-20(14-6-8-15(24)9-7-14)26-19-5-3-2-4-17(19)21/h2-13H,1H3,(H,25,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)quinolin-4-amine?
N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)quinolin-4-amine has a molecular weight of 378.83 g/mol, XLogP of 6.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)quinolin-4-amine is sourced from PubChem (CID 11717826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).