N-(4-chloro-2-fluorophenyl)-7-[2-(2,4-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine

C22H21ClFN5O2 — CID 22624981

IUPACN-(4-chloro-2-fluorophenyl)-7-[2-(2,4-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCn1cc(C)nc1C
InChIInChI=1S/C22H21ClFN5O2/c1-13-11-29(14(2)27-13)6-7-31-21-10-19-16(9-20(21)30-3)22(26-12-25-19)28-18-5-4-15(23)8-17(18)24/h4-5,8-12H,6-7H2,1-3H3,(H,25,26,28)
InChIKeyGIZAUGHNXZCPQV-UHFFFAOYSA-N
MW441.89 g/mol
LogP5.07
Rot. Bonds7

About N-(4-chloro-2-fluorophenyl)-7-[2-(2,4-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine

N-(4-chloro-2-fluorophenyl)-7-[2-(2,4-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine (PubChem CID 22624981) has the molecular formula C22H21ClFN5O2 and a molecular weight of 441.89 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-7-[2-(2,4-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-7-[2-(2,4-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine
PubChem CID22624981
Molecular FormulaC22H21ClFN5O2
Molecular Weight441.89 g/mol
Exact Mass441.14
IUPAC NameN-(4-chloro-2-fluorophenyl)-7-[2-(2,4-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCn1cc(C)nc1C
InChIInChI=1S/C22H21ClFN5O2/c1-13-11-29(14(2)27-13)6-7-31-21-10-19-16(9-20(21)30-3)22(26-12-25-19)28-18-5-4-15(23)8-17(18)24/h4-5,8-12H,6-7H2,1-3H3,(H,25,26,28)
InChIKeyGIZAUGHNXZCPQV-UHFFFAOYSA-N
XLogP5.07
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.89
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-7-[2-(2,4-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-7-[2-(2,4-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine (CID 22624981) is N-(4-chloro-2-fluorophenyl)-7-[2-(2,4-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-7-[2-(2,4-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-7-[2-(2,4-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine is COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCn1cc(C)nc1C.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-7-[2-(2,4-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine?
The InChIKey is GIZAUGHNXZCPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN5O2/c1-13-11-29(14(2)27-13)6-7-31-21-10-19-16(9-20(21)30-3)22(26-12-25-19)28-18-5-4-15(23)8-17(18)24/h4-5,8-12H,6-7H2,1-3H3,(H,25,26,28).
What are the key properties of N-(4-chloro-2-fluorophenyl)-7-[2-(2,4-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine?
N-(4-chloro-2-fluorophenyl)-7-[2-(2,4-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine has a molecular weight of 441.89 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-7-[2-(2,4-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine is sourced from PubChem (CID 22624981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).