N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-[methyl(pyridazin-4-yl)amino]ethoxy]quinazolin-4-amine

C22H20ClFN6O2 — CID 22624988

IUPACN-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-[methyl(pyridazin-4-yl)amino]ethoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCN(C)c1ccnnc1
InChIInChI=1S/C22H20ClFN6O2/c1-30(15-5-6-27-28-12-15)7-8-32-21-11-19-16(10-20(21)31-2)22(26-13-25-19)29-18-4-3-14(23)9-17(18)24/h3-6,9-13H,7-8H2,1-2H3,(H,25,26,29)
InChIKeyCAWJFOKUMDWIGG-UHFFFAOYSA-N
MW454.89 g/mol
LogP4.48
Rot. Bonds8

About N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-[methyl(pyridazin-4-yl)amino]ethoxy]quinazolin-4-amine

N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-[methyl(pyridazin-4-yl)amino]ethoxy]quinazolin-4-amine (PubChem CID 22624988) has the molecular formula C22H20ClFN6O2 and a molecular weight of 454.89 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-[methyl(pyridazin-4-yl)amino]ethoxy]quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-[methyl(pyridazin-4-yl)amino]ethoxy]quinazolin-4-amine
PubChem CID22624988
Molecular FormulaC22H20ClFN6O2
Molecular Weight454.89 g/mol
Exact Mass454.13
IUPAC NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-[methyl(pyridazin-4-yl)amino]ethoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCN(C)c1ccnnc1
InChIInChI=1S/C22H20ClFN6O2/c1-30(15-5-6-27-28-12-15)7-8-32-21-11-19-16(10-20(21)31-2)22(26-13-25-19)29-18-4-3-14(23)9-17(18)24/h3-6,9-13H,7-8H2,1-2H3,(H,25,26,29)
InChIKeyCAWJFOKUMDWIGG-UHFFFAOYSA-N
XLogP4.48
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.89
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-[methyl(pyridazin-4-yl)amino]ethoxy]quinazolin-4-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-[methyl(pyridazin-4-yl)amino]ethoxy]quinazolin-4-amine (CID 22624988) is N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-[methyl(pyridazin-4-yl)amino]ethoxy]quinazolin-4-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-[methyl(pyridazin-4-yl)amino]ethoxy]quinazolin-4-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-[methyl(pyridazin-4-yl)amino]ethoxy]quinazolin-4-amine is COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCN(C)c1ccnnc1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-[methyl(pyridazin-4-yl)amino]ethoxy]quinazolin-4-amine?
The InChIKey is CAWJFOKUMDWIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN6O2/c1-30(15-5-6-27-28-12-15)7-8-32-21-11-19-16(10-20(21)31-2)22(26-13-25-19)29-18-4-3-14(23)9-17(18)24/h3-6,9-13H,7-8H2,1-2H3,(H,25,26,29).
What are the key properties of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-[methyl(pyridazin-4-yl)amino]ethoxy]quinazolin-4-amine?
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-[methyl(pyridazin-4-yl)amino]ethoxy]quinazolin-4-amine has a molecular weight of 454.89 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-[methyl(pyridazin-4-yl)amino]ethoxy]quinazolin-4-amine is sourced from PubChem (CID 22624988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).