N-(4-chloro-2-fluorophenyl)-7-[2-(2,5-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine;hydrochloride

C22H22Cl2FN5O2 — CID 22625051

IUPACN-(4-chloro-2-fluorophenyl)-7-[2-(2,5-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine;hydrochloride
SMILESCOc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCn1c(C)cnc1C.Cl
InChIInChI=1S/C22H21ClFN5O2.ClH/c1-13-11-25-14(2)29(13)6-7-31-21-10-19-16(9-20(21)30-3)22(27-12-26-19)28-18-5-4-15(23)8-17(18)24;/h4-5,8-12H,6-7H2,1-3H3,(H,26,27,28);1H
InChIKeyVTLGPLVKIWKRJI-UHFFFAOYSA-N
MW478.36 g/mol
LogP5.49
Rot. Bonds7

About N-(4-chloro-2-fluorophenyl)-7-[2-(2,5-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine;hydrochloride

N-(4-chloro-2-fluorophenyl)-7-[2-(2,5-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine;hydrochloride (PubChem CID 22625051) has the molecular formula C22H22Cl2FN5O2 and a molecular weight of 478.36 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-7-[2-(2,5-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-7-[2-(2,5-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine;hydrochloride
PubChem CID22625051
Molecular FormulaC22H22Cl2FN5O2
Molecular Weight478.36 g/mol
Exact Mass477.11
IUPAC NameN-(4-chloro-2-fluorophenyl)-7-[2-(2,5-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine;hydrochloride
SMILESCOc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCn1c(C)cnc1C.Cl
InChIInChI=1S/C22H21ClFN5O2.ClH/c1-13-11-25-14(2)29(13)6-7-31-21-10-19-16(9-20(21)30-3)22(27-12-26-19)28-18-5-4-15(23)8-17(18)24;/h4-5,8-12H,6-7H2,1-3H3,(H,26,27,28);1H
InChIKeyVTLGPLVKIWKRJI-UHFFFAOYSA-N
XLogP5.49
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.36
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-chloro-2-fluorophenyl)-7-[2-(2,5-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine;hydrochloride with MolForge

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Related Compounds

N-(4-chloro-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10982156
N-(4-chloro-2-fluorophenyl)-7-(2-ethylsulfonylethoxy)-6-methoxyquinazolin-4-amine
CID 18753444
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22478265
1-[2-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethyl]pyrrolidin-2-one
CID 18753416
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-[methyl-(6-methylpyrimidin-4-yl)amino]ethoxy]quinazolin-4-amine;hydrochloride
CID 22624940
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[3-[(5-methyl-1H-imidazol-2-yl)sulfanyl]propoxy]quinazolin-4-amine
CID 67671562
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-amine;hydrochloride
CID 22624902
ethyl 4-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxybutanoate
CID 22478301
N-(4-chloro-2-fluorophenyl)-7-[2-[(2,6-dimethyl-4-pyridinyl)-methylamino]ethoxy]-6-methoxyquinazolin-4-amine
CID 22624991
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[(2-methyl-4-pyridinyl)methoxy]quinazolin-4-amine
CID 22625056
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-[methyl(pyridin-4-yl)amino]ethoxy]quinazolin-4-amine
CID 5329026
6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 146246329

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-7-[2-(2,5-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine;hydrochloride?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-7-[2-(2,5-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine;hydrochloride (CID 22625051) is N-(4-chloro-2-fluorophenyl)-7-[2-(2,5-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-7-[2-(2,5-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine;hydrochloride?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-7-[2-(2,5-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine;hydrochloride is COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCn1c(C)cnc1C.Cl.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-7-[2-(2,5-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine;hydrochloride?
The InChIKey is VTLGPLVKIWKRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN5O2.ClH/c1-13-11-25-14(2)29(13)6-7-31-21-10-19-16(9-20(21)30-3)22(27-12-26-19)28-18-5-4-15(23)8-17(18)24;/h4-5,8-12H,6-7H2,1-3H3,(H,26,27,28);1H.
What are the key properties of N-(4-chloro-2-fluorophenyl)-7-[2-(2,5-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine;hydrochloride?
N-(4-chloro-2-fluorophenyl)-7-[2-(2,5-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine;hydrochloride has a molecular weight of 478.36 g/mol, XLogP of 5.49, 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-(2,5-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 22625051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).