2,3-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-N-methylaniline

C21H23F2N3O3 — CID 168943078

IUPAC2,3-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-N-methylaniline
SMILESCNCCCOc1cc2nccc(Oc3ccc(NC)c(F)c3F)c2cc1OC
InChIInChI=1S/C21H23F2N3O3/c1-24-8-4-10-28-19-12-15-13(11-18(19)27-3)16(7-9-26-15)29-17-6-5-14(25-2)20(22)21(17)23/h5-7,9,11-12,24-25H,4,8,10H2,1-3H3
InChIKeyJOPNVDLPNOTSKP-UHFFFAOYSA-N
MW403.43 g/mol
LogP4.34
Rot. Bonds9

About 2,3-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-N-methylaniline

2,3-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-N-methylaniline (PubChem CID 168943078) has the molecular formula C21H23F2N3O3 and a molecular weight of 403.43 g/mol. Its IUPAC name is 2,3-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-N-methylaniline.

Molecular Properties

Compound Name2,3-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-N-methylaniline
PubChem CID168943078
Molecular FormulaC21H23F2N3O3
Molecular Weight403.43 g/mol
Exact Mass403.17
IUPAC Name2,3-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-N-methylaniline
SMILESCNCCCOc1cc2nccc(Oc3ccc(NC)c(F)c3F)c2cc1OC
InChIInChI=1S/C21H23F2N3O3/c1-24-8-4-10-28-19-12-15-13(11-18(19)27-3)16(7-9-26-15)29-17-6-5-14(25-2)20(22)21(17)23/h5-7,9,11-12,24-25H,4,8,10H2,1-3H3
InChIKeyJOPNVDLPNOTSKP-UHFFFAOYSA-N
XLogP4.34
TPSA64.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline
CID 168943014
6-amino-N-[2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide
CID 168842833
2,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline;2-fluoro-4-methoxypyridine-3-carbaldehyde
CID 168943045
2-fluoro-4-[6-methoxy-7-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]quinolin-4-yl]oxy-N-methylaniline
CID 142235117
N-[3-[4-(2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]cyclopropanamine
CID 141291316
N-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide
CID 155184797
4-methoxy-N-[4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-2-phosphanylpyridine-3-carboxamide
CID 170005616
tert-butyl N-[3-[4-(4-amino-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]carbamate
CID 66611559
6,7-dimethoxy-N-methylquinolin-4-amine
CID 62190466
4-(6-ethyl-7-methoxyquinolin-4-yl)oxy-N,2,3-trimethylaniline
CID 142073560
2-fluoro-3-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-6-methylphenol
CID 54167934
2,3,5-trifluoro-N-methyl-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline
CID 168943032

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-N-methylaniline?
The IUPAC name of 2,3-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-N-methylaniline (CID 168943078) is 2,3-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-N-methylaniline.
What is the SMILES notation for 2,3-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-N-methylaniline?
The canonical SMILES for 2,3-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-N-methylaniline is CNCCCOc1cc2nccc(Oc3ccc(NC)c(F)c3F)c2cc1OC.
What is the InChIKey of 2,3-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-N-methylaniline?
The InChIKey is JOPNVDLPNOTSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O3/c1-24-8-4-10-28-19-12-15-13(11-18(19)27-3)16(7-9-26-15)29-17-6-5-14(25-2)20(22)21(17)23/h5-7,9,11-12,24-25H,4,8,10H2,1-3H3.
What are the key properties of 2,3-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-N-methylaniline?
2,3-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-N-methylaniline has a molecular weight of 403.43 g/mol, XLogP of 4.34, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-N-methylaniline is sourced from PubChem (CID 168943078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).