N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine

C17H14ClFN2O2 — CID 24999709

IUPACN-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine
SMILESCOc1cc2nccc(Nc3ccc(F)c(Cl)c3)c2cc1OC
InChIInChI=1S/C17H14ClFN2O2/c1-22-16-8-11-14(5-6-20-15(11)9-17(16)23-2)21-10-3-4-13(19)12(18)7-10/h3-9H,1-2H3,(H,20,21)
InChIKeyZJTXHUYOAFMZOW-UHFFFAOYSA-N
MW332.76 g/mol
LogP4.79
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine

N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine (PubChem CID 24999709) has the molecular formula C17H14ClFN2O2 and a molecular weight of 332.76 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine
PubChem CID24999709
Molecular FormulaC17H14ClFN2O2
Molecular Weight332.76 g/mol
Exact Mass332.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine
SMILESCOc1cc2nccc(Nc3ccc(F)c(Cl)c3)c2cc1OC
InChIInChI=1S/C17H14ClFN2O2/c1-22-16-8-11-14(5-6-20-15(11)9-17(16)23-2)21-10-3-4-13(19)12(18)7-10/h3-9H,1-2H3,(H,20,21)
InChIKeyZJTXHUYOAFMZOW-UHFFFAOYSA-N
XLogP4.79
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-chloro-4-fluorophenyl)-7-methoxyquinoline-4,6-diamine
CID 141004590
1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinolin-6-yl]-3-[2-(dimethylamino)ethylamino]urea
CID 175042827
N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine
CID 53264749
1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinolin-6-yl]-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea
CID 141482444
1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinolin-6-yl]-3-[(E)-(2,3-dichlorophenyl)methylideneamino]urea
CID 141482445
6,7-dimethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 53264717
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458
N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinolin-4-amine
CID 161322524
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride
CID 22646651
4-(3-chloroanilino)-7-methoxyquinolin-6-ol
CID 25000015
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinolin-4-amine
CID 22646600

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine (CID 24999709) is N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine is COc1cc2nccc(Nc3ccc(F)c(Cl)c3)c2cc1OC.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine?
The InChIKey is ZJTXHUYOAFMZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O2/c1-22-16-8-11-14(5-6-20-15(11)9-17(16)23-2)21-10-3-4-13(19)12(18)7-10/h3-9H,1-2H3,(H,20,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine?
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine has a molecular weight of 332.76 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine is sourced from PubChem (CID 24999709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).