N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinolin-4-amine

C23H18ClFN2O2 — CID 22646600

IUPACN-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Cl)cc3F)ccnc2cc1OCc1ccccc1
InChIInChI=1S/C23H18ClFN2O2/c1-28-22-12-17-19(27-20-8-7-16(24)11-18(20)25)9-10-26-21(17)13-23(22)29-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,26,27)
InChIKeyQMGUBIKBOWDFDF-UHFFFAOYSA-N
MW408.86 g/mol
LogP6.36
Rot. Bonds6

About N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinolin-4-amine

N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinolin-4-amine (PubChem CID 22646600) has the molecular formula C23H18ClFN2O2 and a molecular weight of 408.86 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinolin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinolin-4-amine
PubChem CID22646600
Molecular FormulaC23H18ClFN2O2
Molecular Weight408.86 g/mol
Exact Mass408.10
IUPAC NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Cl)cc3F)ccnc2cc1OCc1ccccc1
InChIInChI=1S/C23H18ClFN2O2/c1-28-22-12-17-19(27-20-8-7-16(24)11-18(20)25)9-10-26-21(17)13-23(22)29-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,26,27)
InChIKeyQMGUBIKBOWDFDF-UHFFFAOYSA-N
XLogP6.36
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.86
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22478265
4-(4-chloro-2-fluoroanilino)-7-phenylmethoxyquinoline-6-carbonitrile;hydrochloride
CID 22646535
N-[5-[tert-butyl(diphenyl)silyl]oxy-4-chloro-2-fluorophenyl]-6-methoxy-7-phenylmethoxyquinolin-4-amine
CID 54345924
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-amine;hydrochloride
CID 22624902
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[(2-methyl-4-pyridinyl)methoxy]quinazolin-4-amine
CID 22625056
azane;4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline
CID 67265211
N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)phenyl]hydroxylamine
CID 91206596
2-methoxyethyl 4-(4-chloro-2-fluoroanilino)-7-methoxyquinoline-6-sulfinate
CID 142641276
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine
CID 24999709
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
N-(4-chloro-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10982156
4-(2-fluoro-4-nitrosophenoxy)-7-methoxy-6-phenylmethoxyquinoline
CID 89208447

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinolin-4-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinolin-4-amine (CID 22646600) is N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinolin-4-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinolin-4-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinolin-4-amine is COc1cc2c(Nc3ccc(Cl)cc3F)ccnc2cc1OCc1ccccc1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinolin-4-amine?
The InChIKey is QMGUBIKBOWDFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O2/c1-28-22-12-17-19(27-20-8-7-16(24)11-18(20)25)9-10-26-21(17)13-23(22)29-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,26,27).
What are the key properties of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinolin-4-amine?
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinolin-4-amine has a molecular weight of 408.86 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinolin-4-amine is sourced from PubChem (CID 22646600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).