N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)phenyl]hydroxylamine

C23H19FN2O3 — CID 91206596

IUPACN-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)phenyl]hydroxylamine
SMILESCOc1cc2c(-c3ccc(NO)cc3F)ccnc2cc1OCc1ccccc1
InChIInChI=1S/C23H19FN2O3/c1-28-22-12-19-17(18-8-7-16(26-27)11-20(18)24)9-10-25-21(19)13-23(22)29-14-15-5-3-2-4-6-15/h2-13,26-27H,14H2,1H3
InChIKeyMTYNBBZADFEQJY-UHFFFAOYSA-N
MW390.41 g/mol
LogP5.43
Rot. Bonds6

About N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)phenyl]hydroxylamine

N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)phenyl]hydroxylamine (PubChem CID 91206596) has the molecular formula C23H19FN2O3 and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)phenyl]hydroxylamine
PubChem CID91206596
Molecular FormulaC23H19FN2O3
Molecular Weight390.41 g/mol
Exact Mass390.14
IUPAC NameN-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)phenyl]hydroxylamine
SMILESCOc1cc2c(-c3ccc(NO)cc3F)ccnc2cc1OCc1ccccc1
InChIInChI=1S/C23H19FN2O3/c1-28-22-12-19-17(18-8-7-16(26-27)11-20(18)24)9-10-25-21(19)13-23(22)29-14-15-5-3-2-4-6-15/h2-13,26-27H,14H2,1H3
InChIKeyMTYNBBZADFEQJY-UHFFFAOYSA-N
XLogP5.43
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.41
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinolin-4-amine
CID 22646600
azane;4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline
CID 67265211
4-(2-fluoro-4-nitrosophenoxy)-7-methoxy-6-phenylmethoxyquinoline
CID 89208447
methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate
CID 175032455
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
6-methoxy-4-(2-methylquinolin-3-yl)oxy-7-phenylmethoxyquinoline
CID 23078517
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22478265
N-[5-[tert-butyl(diphenyl)silyl]oxy-4-chloro-2-fluorophenyl]-6-methoxy-7-phenylmethoxyquinolin-4-amine
CID 54345924
7-ethoxy-4-methyl-6-phenylmethoxyquinoline
CID 146508381
N'-benzylsulfonyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-phenylethanimidamide
CID 162674405
N-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide
CID 44532199

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)phenyl]hydroxylamine?
The IUPAC name of N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)phenyl]hydroxylamine (CID 91206596) is N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)phenyl]hydroxylamine.
What is the SMILES notation for N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)phenyl]hydroxylamine?
The canonical SMILES for N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)phenyl]hydroxylamine is COc1cc2c(-c3ccc(NO)cc3F)ccnc2cc1OCc1ccccc1.
What is the InChIKey of N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)phenyl]hydroxylamine?
The InChIKey is MTYNBBZADFEQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3/c1-28-22-12-19-17(18-8-7-16(26-27)11-20(18)24)9-10-25-21(19)13-23(22)29-14-15-5-3-2-4-6-15/h2-13,26-27H,14H2,1H3.
What are the key properties of N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)phenyl]hydroxylamine?
N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)phenyl]hydroxylamine has a molecular weight of 390.41 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)phenyl]hydroxylamine is sourced from PubChem (CID 91206596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).