3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinazolin-4-yl]oxy-N-methylaniline

C19H20F2N4O3 — CID 168943068

IUPAC3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinazolin-4-yl]oxy-N-methylaniline
SMILESCNCCOc1cc2ncnc(Oc3c(F)cc(NC)cc3F)c2cc1OC
InChIInChI=1S/C19H20F2N4O3/c1-22-4-5-27-17-9-15-12(8-16(17)26-3)19(25-10-24-15)28-18-13(20)6-11(23-2)7-14(18)21/h6-10,22-23H,4-5H2,1-3H3
InChIKeyHJPOXIJKISOQRO-UHFFFAOYSA-N
MW390.39 g/mol
LogP3.35
Rot. Bonds8

About 3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinazolin-4-yl]oxy-N-methylaniline

3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinazolin-4-yl]oxy-N-methylaniline (PubChem CID 168943068) has the molecular formula C19H20F2N4O3 and a molecular weight of 390.39 g/mol. Its IUPAC name is 3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinazolin-4-yl]oxy-N-methylaniline.

Molecular Properties

Compound Name3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinazolin-4-yl]oxy-N-methylaniline
PubChem CID168943068
Molecular FormulaC19H20F2N4O3
Molecular Weight390.39 g/mol
Exact Mass390.15
IUPAC Name3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinazolin-4-yl]oxy-N-methylaniline
SMILESCNCCOc1cc2ncnc(Oc3c(F)cc(NC)cc3F)c2cc1OC
InChIInChI=1S/C19H20F2N4O3/c1-22-4-5-27-17-9-15-12(8-16(17)26-3)19(25-10-24-15)28-18-13(20)6-11(23-2)7-14(18)21/h6-10,22-23H,4-5H2,1-3H3
InChIKeyHJPOXIJKISOQRO-UHFFFAOYSA-N
XLogP3.35
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline;4-(2-hydroxy-2-methylpropoxy)pyridine-3-carbaldehyde
CID 168943023
4-cyclobutyloxypyridine-3-carbaldehyde;3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline
CID 168943048
4-[[5-[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]oxy-4-fluoro-1H-indol-2-yl]methoxy]-N-methylbutan-1-amine
CID 138465603
N-[5-(6,7-dimethoxyquinazolin-4-yl)oxy-2,4-difluorophenyl]hydroxylamine
CID 118527987
2-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
CID 168842926
ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-propoxyquinazoline
CID 142999087
2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline
CID 168943014
4-bromo-6-butoxy-7-methoxyquinazoline
CID 177191947
2,3-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-N-methylaniline
CID 168943078
ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
CID 54582388
6,7-dimethoxy-4-[3-(sulfinatoamino)propoxy]quinazoline
CID 166071327
2-[6-methoxy-4-(1H-pyrazol-4-yloxy)quinazolin-7-yl]oxyethanol
CID 173161763

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinazolin-4-yl]oxy-N-methylaniline?
The IUPAC name of 3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinazolin-4-yl]oxy-N-methylaniline (CID 168943068) is 3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinazolin-4-yl]oxy-N-methylaniline.
What is the SMILES notation for 3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinazolin-4-yl]oxy-N-methylaniline?
The canonical SMILES for 3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinazolin-4-yl]oxy-N-methylaniline is CNCCOc1cc2ncnc(Oc3c(F)cc(NC)cc3F)c2cc1OC.
What is the InChIKey of 3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinazolin-4-yl]oxy-N-methylaniline?
The InChIKey is HJPOXIJKISOQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O3/c1-22-4-5-27-17-9-15-12(8-16(17)26-3)19(25-10-24-15)28-18-13(20)6-11(23-2)7-14(18)21/h6-10,22-23H,4-5H2,1-3H3.
What are the key properties of 3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinazolin-4-yl]oxy-N-methylaniline?
3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinazolin-4-yl]oxy-N-methylaniline has a molecular weight of 390.39 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinazolin-4-yl]oxy-N-methylaniline is sourced from PubChem (CID 168943068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).